N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide

C17H21N3O2 — CID 110351985

IUPACN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(CNC(=O)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O2/c1-20-15(11-18-16(21)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17(20)22/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyMQGCSCCAXOGSRU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.13
Rot. Bonds3

About N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 110351985) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
PubChem CID110351985
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(CNC(=O)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O2/c1-20-15(11-18-16(21)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17(20)22/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyMQGCSCCAXOGSRU-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416108
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166404777
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-ethyl-2-[1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]piperidin-2-yl]acetamide
CID 126798445
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide (CID 110351985) is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide is Cn1c(CNC(=O)C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is MQGCSCCAXOGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-15(11-18-16(21)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17(20)22/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide?
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110351985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).