N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide

C19H25N3O2 — CID 51280662

IUPACN-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCCC(NC(=O)CCn2cnc3ccccc3c2=O)C1C
InChIInChI=1S/C19H25N3O2/c1-13-6-5-9-16(14(13)2)21-18(23)10-11-22-12-20-17-8-4-3-7-15(17)19(22)24/h3-4,7-8,12-14,16H,5-6,9-11H2,1-2H3,(H,21,23)
InChIKeyKWCQNRCXOSGKMP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 51280662) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID51280662
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCCC(NC(=O)CCn2cnc3ccccc3c2=O)C1C
InChIInChI=1S/C19H25N3O2/c1-13-6-5-9-16(14(13)2)21-18(23)10-11-22-12-20-17-8-4-3-7-15(17)19(22)24/h3-4,7-8,12-14,16H,5-6,9-11H2,1-2H3,(H,21,23)
InChIKeyKWCQNRCXOSGKMP-UHFFFAOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
[(2S)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 124739130
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 11939265
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 11939264
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 124877599
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 51280662) is N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide is CC1CCCC(NC(=O)CCn2cnc3ccccc3c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is KWCQNRCXOSGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-6-5-9-16(14(13)2)21-18(23)10-11-22-12-20-17-8-4-3-7-15(17)19(22)24/h3-4,7-8,12-14,16H,5-6,9-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 51280662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).