N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide

C29H25N5O2 — CID 71471337

IUPACN-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
SMILESCOc1cccc2c(NCc3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cc3)ncnc12
InChIInChI=1S/C29H25N5O2/c1-36-26-9-5-8-23-27(26)32-18-33-28(23)31-17-19-10-12-21(13-11-19)29(35)34-25-16-22(14-15-24(25)30)20-6-3-2-4-7-20/h2-16,18H,17,30H2,1H3,(H,34,35)(H,31,32,33)
InChIKeyBITDNCOAWBVVQB-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.75
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide (PubChem CID 71471337) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
PubChem CID71471337
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
SMILESCOc1cccc2c(NCc3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cc3)ncnc12
InChIInChI=1S/C29H25N5O2/c1-36-26-9-5-8-23-27(26)32-18-33-28(23)31-17-19-10-12-21(13-11-19)29(35)34-25-16-22(14-15-24(25)30)20-6-3-2-4-7-20/h2-16,18H,17,30H2,1H3,(H,34,35)(H,31,32,33)
InChIKeyBITDNCOAWBVVQB-UHFFFAOYSA-N
XLogP5.75
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
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N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
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N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
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4-[[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]methylamino]quinazoline-8-carboxamide
CID 66763555
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
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[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
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N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide (CID 71471337) is N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide is COc1cccc2c(NCc3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cc3)ncnc12.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide?
The InChIKey is BITDNCOAWBVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-36-26-9-5-8-23-27(26)32-18-33-28(23)31-17-19-10-12-21(13-11-19)29(35)34-25-16-22(14-15-24(25)30)20-6-3-2-4-7-20/h2-16,18H,17,30H2,1H3,(H,34,35)(H,31,32,33).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 71471337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).