1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid

C19H23N3O4 — CID 71942414

IUPAC1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc2c(=O)n(CCC(=O)NC3(C(=O)O)CCCCC3)cnc12
InChIInChI=1S/C19H23N3O4/c1-13-6-5-7-14-16(13)20-12-22(17(14)24)11-8-15(23)21-19(18(25)26)9-3-2-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,21,23)(H,25,26)
InChIKeySAWUWTSKYSXXLQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.00
Rot. Bonds5

About 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid

1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 71942414) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID71942414
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc2c(=O)n(CCC(=O)NC3(C(=O)O)CCCCC3)cnc12
InChIInChI=1S/C19H23N3O4/c1-13-6-5-7-14-16(13)20-12-22(17(14)24)11-8-15(23)21-19(18(25)26)9-3-2-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,21,23)(H,25,26)
InChIKeySAWUWTSKYSXXLQ-UHFFFAOYSA-N
XLogP2.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid (CID 71942414) is 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid is Cc1cccc2c(=O)n(CCC(=O)NC3(C(=O)O)CCCCC3)cnc12.
What is the InChIKey of 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SAWUWTSKYSXXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-6-5-7-14-16(13)20-12-22(17(14)24)11-8-15(23)21-19(18(25)26)9-3-2-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71942414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).