3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid

C15H18N2O3 — CID 61394549

IUPAC3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
SMILESCCCCn1c(CCC(=O)O)nc2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-2-3-10-17-13(8-9-14(18)19)16-12-7-5-4-6-11(12)15(17)20/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyUAXRITQKEFPYAZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds6

About 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid

3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid (PubChem CID 61394549) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
PubChem CID61394549
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
SMILESCCCCn1c(CCC(=O)O)nc2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-2-3-10-17-13(8-9-14(18)19)16-12-7-5-4-6-11(12)15(17)20/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyUAXRITQKEFPYAZ-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
2-ethyl-3-pentylquinazolin-4-one
CID 529110
2-benzyl-3-butylquinazolin-4-one
CID 12563436
3-[3-(2-methylbutan-2-yl)-4-oxoquinazolin-2-yl]propanoic acid
CID 61394660
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
2-amino-3-butylquinazolin-4-one
CID 71653207
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid?
The IUPAC name of 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid (CID 61394549) is 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid is CCCCn1c(CCC(=O)O)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid?
The InChIKey is UAXRITQKEFPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-3-10-17-13(8-9-14(18)19)16-12-7-5-4-6-11(12)15(17)20/h4-7H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid?
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid is sourced from PubChem (CID 61394549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).