2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one

C23H18ClN5O — CID 48913707

IUPAC2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnn(-c3ccc(Cl)cc3)c2)N1Cc1cccnc1
InChIInChI=1S/C23H18ClN5O/c24-18-7-9-19(10-8-18)29-15-17(13-26-29)22-27-21-6-2-1-5-20(21)23(30)28(22)14-16-4-3-11-25-12-16/h1-13,15,22,27H,14H2
InChIKeyRQUXQFKLHOOCOF-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.69
Rot. Bonds4

About 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one

2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 48913707) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID48913707
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnn(-c3ccc(Cl)cc3)c2)N1Cc1cccnc1
InChIInChI=1S/C23H18ClN5O/c24-18-7-9-19(10-8-18)29-15-17(13-26-29)22-27-21-6-2-1-5-20(21)23(30)28(22)14-16-4-3-11-25-12-16/h1-13,15,22,27H,14H2
InChIKeyRQUXQFKLHOOCOF-UHFFFAOYSA-N
XLogP4.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quinazolin-4(3H)-one, 1,2-dihydro-3-(4-chlorophenyl)-2-(2-pyridyl)-
CID 620910
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
N-[2-[1-(3-chlorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939229
N-[2-[1-(4-chlorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939410
[5-chloro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271116
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 118146884
3-chloro-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide
CID 122183741
3-(4-chlorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 2316520
1-(5-Chloro-2-methylphenyl)-4-[1-(4-chlorophenyl)-5-(piperidin-4-YL)-1H-pyrazole-4-carbonyl]piperazine
CID 16022699
N-(1-benzylpiperidin-4-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16339345
3-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118720655
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177907

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 48913707) is 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cnn(-c3ccc(Cl)cc3)c2)N1Cc1cccnc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RQUXQFKLHOOCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-18-7-9-19(10-8-18)29-15-17(13-26-29)22-27-21-6-2-1-5-20(21)23(30)28(22)14-16-4-3-11-25-12-16/h1-13,15,22,27H,14H2.
What are the key properties of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one?
2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 415.88 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 48913707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).