[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H23N3O4 — CID 135521585

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCC(OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C19H23N3O4/c1-12(18(24)20-13-6-2-3-7-13)26-17(23)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyFCLUSDBIHBEANS-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.85
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135521585) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135521585
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCC(OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C19H23N3O4/c1-12(18(24)20-13-6-2-3-7-13)26-17(23)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyFCLUSDBIHBEANS-UHFFFAOYSA-N
XLogP1.85
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

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Related Compounds

1-((3-(Trifluoromethyl)phenyl)carbamoyl)ethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135515801
N-(2,2-dimethoxyethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxamide
CID 5053439
2-methoxy-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
CID 6620413
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 135697628
3-(2-Methoxyethyl)-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
CID 148372331
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 153574346
N-[(2s)-1-Hydroxybutan-2-Yl]-3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamide
CID 135566845
Methyl N-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanoyl]-L-Phenylalaninate
CID 135566846
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
3-(2-Methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3250873
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate
CID 4875719
[1-(Benzylamino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 16338810

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135521585) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is CC(OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is FCLUSDBIHBEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(18(24)20-13-6-2-3-7-13)26-17(23)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 357.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135521585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).