4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid

C15H16N2O3 — CID 66006604

IUPAC4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCC1CC(O)C1
InChIInChI=1S/C15H16N2O3/c18-10-5-9(6-10)7-17-14-11-3-1-2-4-13(11)16-8-12(14)15(19)20/h1-4,8-10,18H,5-7H2,(H,16,17)(H,19,20)
InChIKeyDYHRKAGQKXCLLC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.12
Rot. Bonds4

About 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid

4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid (PubChem CID 66006604) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
PubChem CID66006604
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCC1CC(O)C1
InChIInChI=1S/C15H16N2O3/c18-10-5-9(6-10)7-17-14-11-3-1-2-4-13(11)16-8-12(14)15(19)20/h1-4,8-10,18H,5-7H2,(H,16,17)(H,19,20)
InChIKeyDYHRKAGQKXCLLC-UHFFFAOYSA-N
XLogP2.12
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid (CID 66006604) is 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCC1CC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid?
The InChIKey is DYHRKAGQKXCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-10-5-9(6-10)7-17-14-11-3-1-2-4-13(11)16-8-12(14)15(19)20/h1-4,8-10,18H,5-7H2,(H,16,17)(H,19,20).
What are the key properties of 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid?
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid is sourced from PubChem (CID 66006604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).