[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate

C17H20N2O4 — CID 96523727

IUPAC[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H20N2O4/c1-22-14-7-4-8-15(14)23-16(20)9-10-19-11-18-13-6-3-2-5-12(13)17(19)21/h2-3,5-6,11,14-15H,4,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyHCWQLVOEEQMJGW-HUUCEWRRSA-N
MW316.36 g/mol
LogP1.90
Rot. Bonds5

About [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate

[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 96523727) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID96523727
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H20N2O4/c1-22-14-7-4-8-15(14)23-16(20)9-10-19-11-18-13-6-3-2-5-12(13)17(19)21/h2-3,5-6,11,14-15H,4,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyHCWQLVOEEQMJGW-HUUCEWRRSA-N
XLogP1.90
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate with MolForge

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Related Compounds

3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128983150
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
methyl (2S,4R)-4-methoxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylate
CID 99984230
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate (CID 96523727) is [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate is CO[C@@H]1CCC[C@H]1OC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is HCWQLVOEEQMJGW-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-14-7-4-8-15(14)23-16(20)9-10-19-11-18-13-6-3-2-5-12(13)17(19)21/h2-3,5-6,11,14-15H,4,7-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate?
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 316.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 96523727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).