N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide

C23H20N4O2 — CID 2501443

IUPACN-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-19-12-6-16(7-13-19)14-24-23(28)17-8-10-18(11-9-17)27-22-20-4-2-3-5-21(20)25-15-26-22/h2-13,15H,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyBYIPJLHNSFYFAF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide

N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide (PubChem CID 2501443) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
PubChem CID2501443
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-19-12-6-16(7-13-19)14-24-23(28)17-8-10-18(11-9-17)27-22-20-4-2-3-5-21(20)25-15-26-22/h2-13,15H,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyBYIPJLHNSFYFAF-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
CID 15956177
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164577998
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
CID 110436285
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide (CID 2501443) is N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide is COc1ccc(CNC(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide?
The InChIKey is BYIPJLHNSFYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-19-12-6-16(7-13-19)14-24-23(28)17-8-10-18(11-9-17)27-22-20-4-2-3-5-21(20)25-15-26-22/h2-13,15H,14H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide?
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide is sourced from PubChem (CID 2501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).