N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide

C25H24N4O3 — CID 135953948

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C25H24N4O3/c1-32-18-12-10-17(11-13-18)14-15-26-24(30)19-6-2-4-8-21(19)27-16-23-28-22-9-5-3-7-20(22)25(31)29-23/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29,31)
InChIKeyXWSGHBSKPSKTGB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide (PubChem CID 135953948) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
PubChem CID135953948
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C25H24N4O3/c1-32-18-12-10-17(11-13-18)14-15-26-24(30)19-6-2-4-8-21(19)27-16-23-28-22-9-5-3-7-20(22)25(31)29-23/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29,31)
InChIKeyXWSGHBSKPSKTGB-UHFFFAOYSA-N
XLogP3.52
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
CID 137268380
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
CID 135570435
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
4-methoxy-N-[2-[4-methyl-5-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
CID 135410570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide (CID 135953948) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide is COc1ccc(CCNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The InChIKey is XWSGHBSKPSKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-32-18-12-10-17(11-13-18)14-15-26-24(30)19-6-2-4-8-21(19)27-16-23-28-22-9-5-3-7-20(22)25(31)29-23/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide is sourced from PubChem (CID 135953948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).