2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine

C75H94N24O8 — CID 165054798

IUPAC2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
SMILESC=C(C)CN.C=C(C)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C20H26N6O3.C20H24N6O.C16H17N5O2.C15H18N6O2.C4H9N/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-13(2)12-22-19-15-7-6-14(11-16(15)24-20(21)25-19)17-8-9-23-26(17)18-5-3-4-10-27-18;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-15(23,8-22)7-17-13-10-3-2-9(11-4-5-18-21-11)6-12(10)19-14(16)20-13;1-4(2)3-5/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);6-9,11,18H,1,3-5,10,12H2,2H3,(H3,21,22,24,25);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);2-6,22-23H,7-8H2,1H3,(H,18,21)(H3,16,17,19,20);1,3,5H2,2H3
InChIKeyQFTFSMHDWGRIBC-UHFFFAOYSA-N
MW1459.74 g/mol
LogP9.04
Rot. Bonds19

About 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine

2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine (PubChem CID 165054798) has the molecular formula C75H94N24O8 and a molecular weight of 1459.74 g/mol. Its IUPAC name is 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
PubChem CID165054798
Molecular FormulaC75H94N24O8
Molecular Weight1459.74 g/mol
Exact Mass1458.77
IUPAC Name2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
SMILESC=C(C)CN.C=C(C)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C20H26N6O3.C20H24N6O.C16H17N5O2.C15H18N6O2.C4H9N/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-13(2)12-22-19-15-7-6-14(11-16(15)24-20(21)25-19)17-8-9-23-26(17)18-5-3-4-10-27-18;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-15(23,8-22)7-17-13-10-3-2-9(11-4-5-18-21-11)6-12(10)19-14(16)20-13;1-4(2)3-5/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);6-9,11,18H,1,3-5,10,12H2,2H3,(H3,21,22,24,25);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);2-6,22-23H,7-8H2,1H3,(H,18,21)(H3,16,17,19,20);1,3,5H2,2H3
InChIKeyQFTFSMHDWGRIBC-UHFFFAOYSA-N
XLogP9.04
TPSA480.03 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001459.74
LogP ≤ 59.04
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
CID 165025068
(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
CID 165034387
2-amino-7-bromo-3H-quinazolin-4-one;3-[(2-amino-7-bromoquinazolin-4-yl)amino]propan-1-ol;3-aminopropan-1-ol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 165058309

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The IUPAC name of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine (CID 165054798) is 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The canonical SMILES for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine is C=C(C)CN.C=C(C)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The InChIKey is QFTFSMHDWGRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3.C20H24N6O.C16H17N5O2.C15H18N6O2.C4H9N/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-13(2)12-22-19-15-7-6-14(11-16(15)24-20(21)25-19)17-8-9-23-26(17)18-5-3-4-10-27-18;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-15(23,8-22)7-17-13-10-3-2-9(11-4-5-18-21-11)6-12(10)19-14(16)20-13;1-4(2)3-5/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);6-9,11,18H,1,3-5,10,12H2,2H3,(H3,21,22,24,25);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);2-6,22-23H,7-8H2,1H3,(H,18,21)(H3,16,17,19,20);1,3,5H2,2H3.
What are the key properties of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine has a molecular weight of 1459.74 g/mol, XLogP of 9.04, 19 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 165054798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).