3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid

C16H18N2O4 — CID 120525822

IUPAC3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCOc1ccc2cc(C(=O)NCC(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C16H18N2O4/c1-9(16(20)21)8-17-15(19)13-6-11-4-5-12(22-3)7-14(11)18-10(13)2/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRHUXETVQGBJITN-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.00
Rot. Bonds5

About 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid

3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 120525822) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID120525822
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCOc1ccc2cc(C(=O)NCC(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C16H18N2O4/c1-9(16(20)21)8-17-15(19)13-6-11-4-5-12(22-3)7-14(11)18-10(13)2/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRHUXETVQGBJITN-UHFFFAOYSA-N
XLogP2.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694929
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
CID 120693173
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid (CID 120525822) is 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid is COc1ccc2cc(C(=O)NCC(C)C(=O)O)c(C)nc2c1.
What is the InChIKey of 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is RHUXETVQGBJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9(16(20)21)8-17-15(19)13-6-11-4-5-12(22-3)7-14(11)18-10(13)2/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid?
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120525822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).