2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid

C17H18N2O4 — CID 120527700

IUPAC2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1ccc2cccc(C(=O)N3CCOC(CC(=O)O)C3)c2n1
InChIInChI=1S/C17H18N2O4/c1-11-5-6-12-3-2-4-14(16(12)18-11)17(22)19-7-8-23-13(10-19)9-15(20)21/h2-6,13H,7-10H2,1H3,(H,20,21)
InChIKeyCNHZTMGOWSSKNC-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid

2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 120527700) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
PubChem CID120527700
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1ccc2cccc(C(=O)N3CCOC(CC(=O)O)C3)c2n1
InChIInChI=1S/C17H18N2O4/c1-11-5-6-12-3-2-4-14(16(12)18-11)17(22)19-7-8-23-13(10-19)9-15(20)21/h2-6,13H,7-10H2,1H3,(H,20,21)
InChIKeyCNHZTMGOWSSKNC-UHFFFAOYSA-N
XLogP1.86
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 102554769
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid (CID 120527700) is 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid is Cc1ccc2cccc(C(=O)N3CCOC(CC(=O)O)C3)c2n1.
What is the InChIKey of 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is CNHZTMGOWSSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-5-6-12-3-2-4-14(16(12)18-11)17(22)19-7-8-23-13(10-19)9-15(20)21/h2-6,13H,7-10H2,1H3,(H,20,21).
What are the key properties of 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).