N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C27H33N5O4 — CID 18451938

IUPACN-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCN(Cc2cccc(O)c2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C27H33N5O4/c33-22-8-5-6-19(16-22)17-31-13-4-3-10-24(25(31)34)29-26(35)30-14-11-21(12-15-30)32-18-20-7-1-2-9-23(20)28-27(32)36/h1-2,5-9,16,21,24,33H,3-4,10-15,17-18H2,(H,28,36)(H,29,35)
InChIKeyPIYJGGAWUZPPKW-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.49
Rot. Bonds4

About N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 18451938) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID18451938
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCN(Cc2cccc(O)c2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C27H33N5O4/c33-22-8-5-6-19(16-22)17-31-13-4-3-10-24(25(31)34)29-26(35)30-14-11-21(12-15-30)32-18-20-7-1-2-9-23(20)28-27(32)36/h1-2,5-9,16,21,24,33H,3-4,10-15,17-18H2,(H,28,36)(H,29,35)
InChIKeyPIYJGGAWUZPPKW-UHFFFAOYSA-N
XLogP3.49
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11295093
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
N-(2-methyl-3-oxo-8-phenylmethoxy-4,5-dihydro-1H-2-benzazepin-4-yl)-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11978197
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-(2-piperidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11977862
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 22945375
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[8-oxo-9-(2-pyridin-4-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11979013
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
N-[(7R)-9-methyl-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11977861
2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 21102108

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 18451938) is N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is O=C(NC1CCCCN(Cc2cccc(O)c2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is PIYJGGAWUZPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c33-22-8-5-6-19(16-22)17-31-13-4-3-10-24(25(31)34)29-26(35)30-14-11-21(12-15-30)32-18-20-7-1-2-9-23(20)28-27(32)36/h1-2,5-9,16,21,24,33H,3-4,10-15,17-18H2,(H,28,36)(H,29,35).
What are the key properties of N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 18451938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).