4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide

C24H27ClN4O3 — CID 155263347

IUPAC4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C24H27ClN4O3/c1-17(18-6-4-3-5-7-18)27(2)23(31)28-12-10-24(32,11-13-28)15-29-16-26-21-14-19(25)8-9-20(21)22(29)30/h3-9,14,16-17,32H,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyUGXDNWFWICVUBQ-QGZVFWFLSA-N
MW454.96 g/mol
LogP3.69
Rot. Bonds4

About 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide

4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 155263347) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID155263347
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C24H27ClN4O3/c1-17(18-6-4-3-5-7-18)27(2)23(31)28-12-10-24(32,11-13-28)15-29-16-26-21-14-19(25)8-9-20(21)22(29)30/h3-9,14,16-17,32H,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyUGXDNWFWICVUBQ-QGZVFWFLSA-N
XLogP3.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 138513046
N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 138512888
7-(3-aminopropyl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 176578145
6-chloro-1-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]hexane-1,5-dione
CID 161233530
2-chloro-N-[3-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 138513049
7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 138512908
ethane;N-[3-[[4-hydroxy-1-(4-methyl-3-phenylpentanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 142552025
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
3-[7-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-7-oxoheptanoyl]pyrrolidine-1-carbonitrile
CID 158450776
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-7-methylquinazolin-4-one
CID 170125371
2-benzyl-1-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-7-(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)heptane-1,7-dione
CID 158510839

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide (CID 155263347) is 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide is C[C@H](c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1.
What is the InChIKey of 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is UGXDNWFWICVUBQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-17(18-6-4-3-5-7-18)27(2)23(31)28-12-10-24(32,11-13-28)15-29-16-26-21-14-19(25)8-9-20(21)22(29)30/h3-9,14,16-17,32H,10-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155263347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).