4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride

C14H17ClN2O4 — CID 20982484

IUPAC4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2ncc(C(=O)O)c(NCC(C)O)c2c1.Cl
InChIInChI=1S/C14H16N2O4.ClH/c1-8(17)6-16-13-10-5-9(20-2)3-4-12(10)15-7-11(13)14(18)19;/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)(H,18,19);1H
InChIKeyVFSLVSWZZQWAHA-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.16
Rot. Bonds5

About 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride

4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride (PubChem CID 20982484) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
PubChem CID20982484
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2ncc(C(=O)O)c(NCC(C)O)c2c1.Cl
InChIInChI=1S/C14H16N2O4.ClH/c1-8(17)6-16-13-10-5-9(20-2)3-4-12(10)15-7-11(13)14(18)19;/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)(H,18,19);1H
InChIKeyVFSLVSWZZQWAHA-UHFFFAOYSA-N
XLogP2.16
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
CID 101455460
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride (CID 20982484) is 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride is COc1ccc2ncc(C(=O)O)c(NCC(C)O)c2c1.Cl.
What is the InChIKey of 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is VFSLVSWZZQWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4.ClH/c1-8(17)6-16-13-10-5-9(20-2)3-4-12(10)15-7-11(13)14(18)19;/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)(H,18,19);1H.
What are the key properties of 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 312.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).