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

C28H35N5O4 — CID 11295093

IUPACN-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCOc1cccc(CN2CCCC[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C2=O)c1
InChIInChI=1S/C28H35N5O4/c1-37-23-9-6-7-20(17-23)18-32-14-5-4-11-25(26(32)34)30-27(35)31-15-12-22(13-16-31)33-19-21-8-2-3-10-24(21)29-28(33)36/h2-3,6-10,17,22,25H,4-5,11-16,18-19H2,1H3,(H,29,36)(H,30,35)/t25-/m1/s1
InChIKeyVWABGJVHHUYJOB-RUZDIDTESA-N
MW505.62 g/mol
LogP3.80
Rot. Bonds5

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

N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 11295093) has the molecular formula C28H35N5O4 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID11295093
Molecular FormulaC28H35N5O4
Molecular Weight505.62 g/mol
Exact Mass505.27
IUPAC NameN-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCOc1cccc(CN2CCCC[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C2=O)c1
InChIInChI=1S/C28H35N5O4/c1-37-23-9-6-7-20(17-23)18-32-14-5-4-11-25(26(32)34)30-27(35)31-15-12-22(13-16-31)33-19-21-8-2-3-10-24(21)29-28(33)36/h2-3,6-10,17,22,25H,4-5,11-16,18-19H2,1H3,(H,29,36)(H,30,35)/t25-/m1/s1
InChIKeyVWABGJVHHUYJOB-RUZDIDTESA-N
XLogP3.80
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3-hydroxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 18451938
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-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71687072
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
1-benzyl-3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 50789384
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
1-(2-methoxyphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109796
N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
CID 56643350
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 11295093) is N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is COc1cccc(CN2CCCC[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C2=O)c1.
What is the InChIKey of N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is VWABGJVHHUYJOB-RUZDIDTESA-N. The full InChI is InChI=1S/C28H35N5O4/c1-37-23-9-6-7-20(17-23)18-32-14-5-4-11-25(26(32)34)30-27(35)31-15-12-22(13-16-31)33-19-21-8-2-3-10-24(21)29-28(33)36/h2-3,6-10,17,22,25H,4-5,11-16,18-19H2,1H3,(H,29,36)(H,30,35)/t25-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11295093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).