1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea

C23H22N6O — CID 155206440

IUPAC1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea
SMILESCN(C)c1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C23H22N6O/c1-29(2)19-12-13-20-21(14-19)24-15-25-22(20)26-17-8-10-18(11-9-17)28-23(30)27-16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26)(H2,27,28,30)
InChIKeyQLMTVDQQHJBWAE-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.08
Rot. Bonds5

About 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea

1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea (PubChem CID 155206440) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea
PubChem CID155206440
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea
SMILESCN(C)c1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C23H22N6O/c1-29(2)19-12-13-20-21(14-19)24-15-25-22(20)26-17-8-10-18(11-9-17)28-23(30)27-16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26)(H2,27,28,30)
InChIKeyQLMTVDQQHJBWAE-UHFFFAOYSA-N
XLogP5.08
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
Pd 168393
CID 4708
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Importazole
CID 2949965
Sgi-1027
CID 24858111
PD 174265
CID 4709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea (CID 155206440) is 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea is CN(C)c1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea?
The InChIKey is QLMTVDQQHJBWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-29(2)19-12-13-20-21(14-19)24-15-25-22(20)26-17-8-10-18(11-9-17)28-23(30)27-16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26)(H2,27,28,30).
What are the key properties of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea?
1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea has a molecular weight of 398.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylurea is sourced from PubChem (CID 155206440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).