2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid

C17H21N3O4 — CID 119204774

IUPAC2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C17H21N3O4/c1-3-8-19(10-15(22)23)14(21)7-9-20-11-18-16-12(2)5-4-6-13(16)17(20)24/h4-6,11H,3,7-10H2,1-2H3,(H,22,23)
InChIKeyOTTMQMVGXBKHDY-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.42
Rot. Bonds7

About 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid

2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid (PubChem CID 119204774) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
PubChem CID119204774
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C17H21N3O4/c1-3-8-19(10-15(22)23)14(21)7-9-20-11-18-16-12(2)5-4-6-13(16)17(20)24/h4-6,11H,3,7-10H2,1-2H3,(H,22,23)
InChIKeyOTTMQMVGXBKHDY-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 134016250
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
CID 55726466
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid?
The IUPAC name of 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid (CID 119204774) is 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid?
The canonical SMILES for 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CCn1cnc2c(C)cccc2c1=O.
What is the InChIKey of 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid?
The InChIKey is OTTMQMVGXBKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-8-19(10-15(22)23)14(21)7-9-20-11-18-16-12(2)5-4-6-13(16)17(20)24/h4-6,11H,3,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid?
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid is sourced from PubChem (CID 119204774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).