N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide

C24H28N4O2 — CID 135718611

IUPACN-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
SMILESCN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H28N4O2/c1-27(16-22-25-21-15-9-8-14-20(21)24(30)26-22)17-23(29)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3,(H,25,26,30)
InChIKeyPILXTDYHLAWIKX-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.72
Rot. Bonds6

About N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide

N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide (PubChem CID 135718611) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
PubChem CID135718611
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
SMILESCN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H28N4O2/c1-27(16-22-25-21-15-9-8-14-20(21)24(30)26-22)17-23(29)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3,(H,25,26,30)
InChIKeyPILXTDYHLAWIKX-UHFFFAOYSA-N
XLogP3.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135892985
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135625053
2-[(2-amino-2-oxoethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetic acid
CID 136776108
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136710894

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide (CID 135718611) is N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide is CN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide?
The InChIKey is PILXTDYHLAWIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27(16-22-25-21-15-9-8-14-20(21)24(30)26-22)17-23(29)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3,(H,25,26,30).
What are the key properties of N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide?
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 135718611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).