N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C23H32N4O2 — CID 1166555

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/t17-,19+/m1/s1
InChIKeyOMUGRPAXPCUJSF-MJGOQNOKSA-N
MW396.54 g/mol
LogP3.08
Rot. Bonds5

About N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 1166555) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID1166555
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/t17-,19+/m1/s1
InChIKeyOMUGRPAXPCUJSF-MJGOQNOKSA-N
XLogP3.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7855356
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
methyl 2-[2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 8868996
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
2-(2-benzyl-4-oxoquinazolin-3-yl)-N-cyclohexylacetamide
CID 1462734
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 1166555) is N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is OMUGRPAXPCUJSF-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 1166555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).