8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid

C18H20N2O4 — CID 156697397

IUPAC8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid
SMILESC=C(CNC(=O)OC(C)(C)C)c1cccc2c(C(=O)O)ccnc12
InChIInChI=1S/C18H20N2O4/c1-11(10-20-17(23)24-18(2,3)4)12-6-5-7-13-14(16(21)22)8-9-19-15(12)13/h5-9H,1,10H2,2-4H3,(H,20,23)(H,21,22)
InChIKeyKXGJASVVYLPTJI-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.47
Rot. Bonds4

About 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid

8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid (PubChem CID 156697397) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid
PubChem CID156697397
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid
SMILESC=C(CNC(=O)OC(C)(C)C)c1cccc2c(C(=O)O)ccnc12
InChIInChI=1S/C18H20N2O4/c1-11(10-20-17(23)24-18(2,3)4)12-6-5-7-13-14(16(21)22)8-9-19-15(12)13/h5-9H,1,10H2,2-4H3,(H,20,23)(H,21,22)
InChIKeyKXGJASVVYLPTJI-UHFFFAOYSA-N
XLogP3.47
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate
CID 155673895
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
4-[[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]quinolin-8-yl]amino]-4-oxobutanoic acid
CID 156826772
tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
CID 166932018
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phthalic acid
CID 67230375
6-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]quinoline-4-carboxylic acid
CID 175982513
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]naphthalene-1-carboxylic acid
CID 69452864
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
CID 144832127
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid?
The IUPAC name of 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid (CID 156697397) is 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid is C=C(CNC(=O)OC(C)(C)C)c1cccc2c(C(=O)O)ccnc12.
What is the InChIKey of 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid?
The InChIKey is KXGJASVVYLPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(10-20-17(23)24-18(2,3)4)12-6-5-7-13-14(16(21)22)8-9-19-15(12)13/h5-9H,1,10H2,2-4H3,(H,20,23)(H,21,22).
What are the key properties of 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid?
8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 156697397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).