N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide

C23H19N5O3 — CID 141449293

IUPACN-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccccc3)c2cc1NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C23H19N5O3/c1-31-20-13-18-17(21(25-14-24-18)26-16-10-6-3-7-11-16)12-19(20)27-23(30)28-22(29)15-8-4-2-5-9-15/h2-14H,1H3,(H,24,25,26)(H2,27,28,29,30)
InChIKeySIMZHRWKNVECNE-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.34
Rot. Bonds5

About N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide

N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide (PubChem CID 141449293) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
PubChem CID141449293
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccccc3)c2cc1NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C23H19N5O3/c1-31-20-13-18-17(21(25-14-24-18)26-16-10-6-3-7-11-16)12-19(20)27-23(30)28-22(29)15-8-4-2-5-9-15/h2-14H,1H3,(H,24,25,26)(H2,27,28,29,30)
InChIKeySIMZHRWKNVECNE-UHFFFAOYSA-N
XLogP4.34
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
N-[4-[4-(benzenesulfonamido)anilino]-7-methoxyquinazolin-6-yl]propanamide
CID 134153313
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3235342
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide
CID 141449324

Frequently Asked Questions

What is the IUPAC name of N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide?
The IUPAC name of N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide (CID 141449293) is N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide.
What is the SMILES notation for N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide?
The canonical SMILES for N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide is COc1cc2ncnc(Nc3ccccc3)c2cc1NC(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide?
The InChIKey is SIMZHRWKNVECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-31-20-13-18-17(21(25-14-24-18)26-16-10-6-3-7-11-16)12-19(20)27-23(30)28-22(29)15-8-4-2-5-9-15/h2-14H,1H3,(H,24,25,26)(H2,27,28,29,30).
What are the key properties of N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide?
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide has a molecular weight of 413.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide is sourced from PubChem (CID 141449293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).