N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide

C17H21N3O4 — CID 155990175

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@H]1O
InChIInChI=1S/C17H21N3O4/c1-24-14-8-4-7-13(16(14)22)19-15(21)9-20-10-18-12-6-3-2-5-11(12)17(20)23/h2-3,5-6,10,13-14,16,22H,4,7-9H2,1H3,(H,19,21)/t13-,14-,16-/m1/s1
InChIKeyFKMLFLILWMQKAM-IIAWOOMASA-N
MW331.37 g/mol
LogP0.44
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 155990175) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID155990175
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@H]1O
InChIInChI=1S/C17H21N3O4/c1-24-14-8-4-7-13(16(14)22)19-15(21)9-20-10-18-12-6-3-2-5-11(12)17(20)23/h2-3,5-6,10,13-14,16,22H,4,7-9H2,1H3,(H,19,21)/t13-,14-,16-/m1/s1
InChIKeyFKMLFLILWMQKAM-IIAWOOMASA-N
XLogP0.44
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-[(3R,4S)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91768835
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47025787
N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 94080105
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97154053

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 155990175) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide is CO[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FKMLFLILWMQKAM-IIAWOOMASA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-14-8-4-7-13(16(14)22)19-15(21)9-20-10-18-12-6-3-2-5-11(12)17(20)23/h2-3,5-6,10,13-14,16,22H,4,7-9H2,1H3,(H,19,21)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 155990175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).