N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide

C29H25N5O — CID 25025911

IUPACN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C29H25N5O/c1-30-29-33-26-10-6-5-9-25(26)27(34-29)31-19-20-11-17-24(18-12-20)32-28(35)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18H,19H2,1H3,(H,32,35)(H2,30,31,33,34)
InChIKeyCICSICZXJDAQLA-UHFFFAOYSA-N
MW459.55 g/mol
LogP6.20
Rot. Bonds7

About N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide

N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide (PubChem CID 25025911) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide
PubChem CID25025911
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC NameN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C29H25N5O/c1-30-29-33-26-10-6-5-9-25(26)27(34-29)31-19-20-11-17-24(18-12-20)32-28(35)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18H,19H2,1H3,(H,32,35)(H2,30,31,33,34)
InChIKeyCICSICZXJDAQLA-UHFFFAOYSA-N
XLogP6.20
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Senexin B
CID 71661259
1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
VX-984
CID 72188357
Cgp-53716
CID 9864718

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide (CID 25025911) is N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide?
The InChIKey is CICSICZXJDAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-30-29-33-26-10-6-5-9-25(26)27(34-29)31-19-20-11-17-24(18-12-20)32-28(35)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18H,19H2,1H3,(H,32,35)(H2,30,31,33,34).
What are the key properties of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide?
N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide has a molecular weight of 459.55 g/mol, XLogP of 6.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 25025911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).