3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide

C24H24N4O3 — CID 52901140

IUPAC3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C24H24N4O3/c1-31-19-10-8-18(9-11-19)23-27-21-7-3-2-6-20(21)24(30)28(23)14-12-22(29)26-16-17-5-4-13-25-15-17/h2-11,13,15,23,27H,12,14,16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyMOOJYXKAQVNGIQ-QHCPKHFHSA-N
MW416.48 g/mol
LogP3.36
Rot. Bonds7

About 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 52901140) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID52901140
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C24H24N4O3/c1-31-19-10-8-18(9-11-19)23-27-21-7-3-2-6-20(21)24(30)28(23)14-12-22(29)26-16-17-5-4-13-25-15-17/h2-11,13,15,23,27H,12,14,16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyMOOJYXKAQVNGIQ-QHCPKHFHSA-N
XLogP3.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677
N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 52905272
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 4575767
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
CID 122179902
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-[3-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 135859036
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 52901140) is 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MOOJYXKAQVNGIQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-19-10-8-18(9-11-19)23-27-21-7-3-2-6-20(21)24(30)28(23)14-12-22(29)26-16-17-5-4-13-25-15-17/h2-11,13,15,23,27H,12,14,16H2,1H3,(H,26,29)/t23-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 416.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 52901140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).