3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid

C15H16N2O4 — CID 155896659

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-6-9-4-5-10(13(18)19)7-12(9)16-8-11/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChIKeyJTVRIJXNFIPLFM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.28
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid (PubChem CID 155896659) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
PubChem CID155896659
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-6-9-4-5-10(13(18)19)7-12(9)16-8-11/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChIKeyJTVRIJXNFIPLFM-UHFFFAOYSA-N
XLogP3.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic 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

methyl N-quinolin-3-ylcarbamate
CID 19697860
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 123540990
8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
CID 129451004
tert-butyl N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]carbamate
CID 21341518
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid (CID 155896659) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid is CC(C)(C)OC(=O)Nc1cnc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid?
The InChIKey is JTVRIJXNFIPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-6-9-4-5-10(13(18)19)7-12(9)16-8-11/h4-8H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid is sourced from PubChem (CID 155896659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).