3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C27H27ClN4O3 — CID 24961614

IUPAC3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESCc1cc(C(=O)c2cc(C)c(O)c(Cl)c2)cc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C27H27ClN4O3/c1-16-11-19(13-22(28)25(16)33)26(34)20-12-17(2)29-24(14-20)31-9-7-21(8-10-31)32-15-18-5-3-4-6-23(18)30-27(32)35/h3-6,11-14,21,33H,7-10,15H2,1-2H3,(H,30,35)
InChIKeyGFFOPHDWSIDFNR-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.30
Rot. Bonds4

About 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 24961614) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID24961614
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESCc1cc(C(=O)c2cc(C)c(O)c(Cl)c2)cc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C27H27ClN4O3/c1-16-11-19(13-22(28)25(16)33)26(34)20-12-17(2)29-24(14-20)31-9-7-21(8-10-31)32-15-18-5-3-4-6-23(18)30-27(32)35/h3-6,11-14,21,33H,7-10,15H2,1-2H3,(H,30,35)
InChIKeyGFFOPHDWSIDFNR-UHFFFAOYSA-N
XLogP5.30
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-piperidin-1-ium-4-yl-1,4-dihydroquinazolin-2-one acetate
CID 67318866
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one
CID 24961616
methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one
CID 143791273
ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 69189291
6-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 59842744
3-[1-[5-methyl-4-(7-methyl-1H-indazole-5-carbonyl)-1,3-thiazol-2-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 24961979
[2-amino-3-methyl-5-[5-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carbonyl]phenyl]methylideneazanium
CID 143688686
3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 18321434
3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 12797985
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 92968130

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 24961614) is 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is Cc1cc(C(=O)c2cc(C)c(O)c(Cl)c2)cc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1.
What is the InChIKey of 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is GFFOPHDWSIDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-16-11-19(13-22(28)25(16)33)26(34)20-12-17(2)29-24(14-20)31-9-7-21(8-10-31)32-15-18-5-3-4-6-23(18)30-27(32)35/h3-6,11-14,21,33H,7-10,15H2,1-2H3,(H,30,35).
What are the key properties of 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 490.99 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 24961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).