N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide

C26H26N4O2 — CID 135993476

IUPACN-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-2-19-9-11-20(12-10-19)17-30(18-21-6-5-15-27-16-21)25(31)14-13-24-28-23-8-4-3-7-22(23)26(32)29-24/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,28,29,32)
InChIKeyHAAYFYBQCAEHNF-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.04
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide

N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 135993476) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID135993476
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-2-19-9-11-20(12-10-19)17-30(18-21-6-5-15-27-16-21)25(31)14-13-24-28-23-8-4-3-7-22(23)26(32)29-24/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,28,29,32)
InChIKeyHAAYFYBQCAEHNF-UHFFFAOYSA-N
XLogP4.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 137296668
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
CID 137282635
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55385230
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258780
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 135993476) is N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HAAYFYBQCAEHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-19-9-11-20(12-10-19)17-30(18-21-6-5-15-27-16-21)25(31)14-13-24-28-23-8-4-3-7-22(23)26(32)29-24/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,28,29,32).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 426.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 135993476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).