9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

C16H18N2O3 — CID 7138246

IUPAC9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESC[C@H](O)CNc1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C16H18N2O3/c1-9(19)8-17-15-11-3-2-4-13(11)18-14-6-5-10(16(20)21)7-12(14)15/h5-7,9,19H,2-4,8H2,1H3,(H,17,18)(H,20,21)/t9-/m0/s1
InChIKeyGHMPTRYTYBNSHT-VIFPVBQESA-N
MW286.33 g/mol
LogP2.21
Rot. Bonds4

About 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138246) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138246
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESC[C@H](O)CNc1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C16H18N2O3/c1-9(19)8-17-15-11-3-2-4-13(11)18-14-6-5-10(16(20)21)7-12(14)15/h5-7,9,19H,2-4,8H2,1H3,(H,17,18)(H,20,21)/t9-/m0/s1
InChIKeyGHMPTRYTYBNSHT-VIFPVBQESA-N
XLogP2.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid with MolForge

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Related Compounds

9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138224
4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
CID 7138238
9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
CID 7138240
9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138253
1-(2-hydroxypropylamino)isoquinoline-7-carboxylic acid
CID 82571138
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219
N-ethyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63180941
9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138217
9-N-ethyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroacridine-2,9-diamine
CID 63481210
7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202165
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480907
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767

Frequently Asked Questions

What is the IUPAC name of 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138246) is 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is C[C@H](O)CNc1c2c(nc3ccc(C(=O)O)cc13)CCC2.
What is the InChIKey of 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is GHMPTRYTYBNSHT-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(19)8-17-15-11-3-2-4-13(11)18-14-6-5-10(16(20)21)7-12(14)15/h5-7,9,19H,2-4,8H2,1H3,(H,17,18)(H,20,21)/t9-/m0/s1.
What are the key properties of 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).