4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid

C17H21N3O4 — CID 122078078

IUPAC4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)c2cccnc12
InChIInChI=1S/C17H21N3O4/c1-17(2,9-8-14(21)22)20-16(23)19-12-6-7-13(24-3)15-11(12)5-4-10-18-15/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyZIDWVYMSRWQPPQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.01
Rot. Bonds6

About 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid

4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122078078) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122078078
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)c2cccnc12
InChIInChI=1S/C17H21N3O4/c1-17(2,9-8-14(21)22)20-16(23)19-12-6-7-13(24-3)15-11(12)5-4-10-18-15/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyZIDWVYMSRWQPPQ-UHFFFAOYSA-N
XLogP3.01
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
4-[[8-(2-methoxy-2-oxoethoxy)quinolin-5-yl]carbamoylamino]butanoic acid
CID 122087193
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
2-(4-bromophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 35577767
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
CID 100777479

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid (CID 122078078) is 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid is COc1ccc(NC(=O)NC(C)(C)CCC(=O)O)c2cccnc12.
What is the InChIKey of 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is ZIDWVYMSRWQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(2,9-8-14(21)22)20-16(23)19-12-6-7-13(24-3)15-11(12)5-4-10-18-15/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid?
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122078078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).