4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol

C103H102N16O4S2 — CID 159968112

IUPAC4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1CNc1nc(NC2CCOCC2)c2ccccc2n1.c1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1.c1ccc(Oc2cccc(CNc3nc(NC4CCCC4)c4ccccc4n3)c2)cc1.c1ccc(Sc2ccccc2Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H28N4O2S.C26H26N4O.C25H24N4O.C25H24N4S/c32-18-20-8-2-6-12-25(20)34-24-11-5-1-7-19(24)17-28-27-30-23-10-4-3-9-22(23)26(31-27)29-21-13-15-33-16-14-21;1-2-12-21(13-3-1)31-22-14-8-9-19(17-22)18-27-26-29-24-16-7-6-15-23(24)25(30-26)28-20-10-4-5-11-20;1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18;1-2-12-19(13-3-1)30-23-17-9-8-16-22(23)28-25-27-21-15-7-6-14-20(21)24(29-25)26-18-10-4-5-11-18/h1-12,21,32H,13-18H2,(H2,28,29,30,31);1-3,6-9,12-17,20H,4-5,10-11,18H2,(H2,27,28,29,30);1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29);1-3,6-9,12-18H,4-5,10-11H2,(H2,26,27,28,29)
InChIKeyOEESWSZYFBWSHT-UHFFFAOYSA-N
MW1692.19 g/mol
LogP25.26
Rot. Bonds27

About 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol

4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol (PubChem CID 159968112) has the molecular formula C103H102N16O4S2 and a molecular weight of 1692.19 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
PubChem CID159968112
Molecular FormulaC103H102N16O4S2
Molecular Weight1692.19 g/mol
Exact Mass1690.77
IUPAC Name4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1CNc1nc(NC2CCOCC2)c2ccccc2n1.c1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1.c1ccc(Oc2cccc(CNc3nc(NC4CCCC4)c4ccccc4n3)c2)cc1.c1ccc(Sc2ccccc2Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H28N4O2S.C26H26N4O.C25H24N4O.C25H24N4S/c32-18-20-8-2-6-12-25(20)34-24-11-5-1-7-19(24)17-28-27-30-23-10-4-3-9-22(23)26(31-27)29-21-13-15-33-16-14-21;1-2-12-21(13-3-1)31-22-14-8-9-19(17-22)18-27-26-29-24-16-7-6-15-23(24)25(30-26)28-20-10-4-5-11-20;1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18;1-2-12-19(13-3-1)30-23-17-9-8-16-22(23)28-25-27-21-15-7-6-14-20(21)24(29-25)26-18-10-4-5-11-18/h1-12,21,32H,13-18H2,(H2,28,29,30,31);1-3,6-9,12-17,20H,4-5,10-11,18H2,(H2,27,28,29,30);1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29);1-3,6-9,12-18H,4-5,10-11H2,(H2,26,27,28,29)
InChIKeyOEESWSZYFBWSHT-UHFFFAOYSA-N
XLogP25.26
TPSA247.28 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001692.19
LogP ≤ 525.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol with MolForge

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Related Compounds

4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
2-N-[(2-chloro-6-phenoxyphenyl)methyl]-4-N-cyclopentylquinazoline-2,4-diamine;4-N-cyclopentyl-2-N-[[4-(4-fluorophenoxy)phenyl]methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-[[2-(4-methylphenoxy)phenyl]methyl]quinazoline-2,4-diamine;[2-[2-[[[4-(pentan-3-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158318490
4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]piperidine-1-sulfonamide
CID 58966869
4-N-cyclopentyl-2-N-[[2-(4-methylphenoxy)phenyl]methyl]quinazoline-2,4-diamine
CID 59682601
[2-[2-[[[4-[[4-(hydroxymethyl)oxan-4-yl]amino]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 58966821
[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
CID 59682609
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
4-N-cyclopentyl-2-N-[(2-iodo-6-phenoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71121510
[2-[2-[[[4-[(6-fluoro-1,3-benzoxathiol-2-yl)amino]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 58966835
[1-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2,3-dihydro-1H-benzo[f]chromen-2-yl]methanol
CID 58966878
4-hydroxy-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonic acid
CID 58966887

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol (CID 159968112) is 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol is OCc1ccccc1Sc1ccccc1CNc1nc(NC2CCOCC2)c2ccccc2n1.c1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1.c1ccc(Oc2cccc(CNc3nc(NC4CCCC4)c4ccccc4n3)c2)cc1.c1ccc(Sc2ccccc2Nc2nc(NC3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The InChIKey is OEESWSZYFBWSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S.C26H26N4O.C25H24N4O.C25H24N4S/c32-18-20-8-2-6-12-25(20)34-24-11-5-1-7-19(24)17-28-27-30-23-10-4-3-9-22(23)26(31-27)29-21-13-15-33-16-14-21;1-2-12-21(13-3-1)31-22-14-8-9-19(17-22)18-27-26-29-24-16-7-6-15-23(24)25(30-26)28-20-10-4-5-11-20;1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18;1-2-12-19(13-3-1)30-23-17-9-8-16-22(23)28-25-27-21-15-7-6-14-20(21)24(29-25)26-18-10-4-5-11-18/h1-12,21,32H,13-18H2,(H2,28,29,30,31);1-3,6-9,12-17,20H,4-5,10-11,18H2,(H2,27,28,29,30);1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29);1-3,6-9,12-18H,4-5,10-11H2,(H2,26,27,28,29).
What are the key properties of 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol has a molecular weight of 1692.19 g/mol, XLogP of 25.26, 27 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-[(3-phenoxyphenyl)methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-(2-phenylsulfanylphenyl)quinazoline-2,4-diamine;[2-[2-[[[4-(oxan-4-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 159968112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).