(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane

C91H142F4N24O8S6 — CID 158197072

IUPAC(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(OC)cc12.S.S.S.S.S.S
InChIInChI=1S/C16H24N4O2.4C15H21FN4O.C15H22N4O2.6H2S/c1-3-4-5-11(8-9-21)18-15-13-7-6-12(22-2)10-14(13)19-16(17)20-15;1-2-3-5-10(8-9-21)18-14-13-11(16)6-4-7-12(13)19-15(17)20-14;1-2-3-5-10(8-9-21)18-14-11-6-4-7-12(16)13(11)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-9-10(16)5-6-13(12)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-6-5-10(16)9-13(12)19-15(17)20-14;1-3-4-10(7-8-20)17-14-12-9-11(21-2)5-6-13(12)18-15(16)19-14;;;;;;/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);2*4,6-7,10,21H,2-3,5,8-9H2,1H3,(H3,17,18,19,20);2*5-6,9,11,21H,2-4,7-8H2,1H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);6*1H2/t11-;2*10-;2*11-;10-;;;;;;/m000000....../s1
InChIKeyGALUJWMGAIFLCS-MHMGYBDMSA-N
MW1968.69 g/mol
LogP16.25
Rot. Bonds43

About (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane

(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane (PubChem CID 158197072) has the molecular formula C91H142F4N24O8S6 and a molecular weight of 1968.69 g/mol. Its IUPAC name is (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane.

Molecular Properties

Compound Name(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
PubChem CID158197072
Molecular FormulaC91H142F4N24O8S6
Molecular Weight1968.69 g/mol
Exact Mass1966.97
IUPAC Name(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(OC)cc12.S.S.S.S.S.S
InChIInChI=1S/C16H24N4O2.4C15H21FN4O.C15H22N4O2.6H2S/c1-3-4-5-11(8-9-21)18-15-13-7-6-12(22-2)10-14(13)19-16(17)20-15;1-2-3-5-10(8-9-21)18-14-13-11(16)6-4-7-12(13)19-15(17)20-14;1-2-3-5-10(8-9-21)18-14-11-6-4-7-12(16)13(11)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-9-10(16)5-6-13(12)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-6-5-10(16)9-13(12)19-15(17)20-14;1-3-4-10(7-8-20)17-14-12-9-11(21-2)5-6-13(12)18-15(16)19-14;;;;;;/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);2*4,6-7,10,21H,2-3,5,8-9H2,1H3,(H3,17,18,19,20);2*5-6,9,11,21H,2-4,7-8H2,1H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);6*1H2/t11-;2*10-;2*11-;10-;;;;;;/m000000....../s1
InChIKeyGALUJWMGAIFLCS-MHMGYBDMSA-N
XLogP16.25
TPSA522.82 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.69
LogP ≤ 516.25
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Analyze (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 53315437
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine
CID 71738259
N-(1-benzylpiperidin-4-yl)-2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71738262
N-(1-benzylpiperidin-4-yl)-6-methoxy-7-phenylmethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 89821586
N-(1-benzylpiperidin-4-yl)-6-methoxy-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 122580323
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 134386479
(2R)-2-[[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-2-phenylethanol
CID 44523462
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 145982259
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 145987918
N-(1-benzylpiperidin-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-phenylmethoxyquinazolin-4-amine
CID 145988903
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 145990594

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The IUPAC name of (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane (CID 158197072) is (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane.
What is the SMILES notation for (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The canonical SMILES for (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane is CCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(OC)cc12.S.S.S.S.S.S.
What is the InChIKey of (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The InChIKey is GALUJWMGAIFLCS-MHMGYBDMSA-N. The full InChI is InChI=1S/C16H24N4O2.4C15H21FN4O.C15H22N4O2.6H2S/c1-3-4-5-11(8-9-21)18-15-13-7-6-12(22-2)10-14(13)19-16(17)20-15;1-2-3-5-10(8-9-21)18-14-13-11(16)6-4-7-12(13)19-15(17)20-14;1-2-3-5-10(8-9-21)18-14-11-6-4-7-12(16)13(11)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-9-10(16)5-6-13(12)19-15(17)20-14;1-2-3-4-11(7-8-21)18-14-12-6-5-10(16)9-13(12)19-15(17)20-14;1-3-4-10(7-8-20)17-14-12-9-11(21-2)5-6-13(12)18-15(16)19-14;;;;;;/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);2*4,6-7,10,21H,2-3,5,8-9H2,1H3,(H3,17,18,19,20);2*5-6,9,11,21H,2-4,7-8H2,1H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);6*1H2/t11-;2*10-;2*11-;10-;;;;;;/m000000....../s1.
What are the key properties of (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
(3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane has a molecular weight of 1968.69 g/mol, XLogP of 16.25, 43 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-amino-5-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane is sourced from PubChem (CID 158197072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).