9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate

C16H17N2O3- — CID 7138240

IUPAC9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
SMILESO=C([O-])c1ccc2nc3c(c(NCCCO)c2c1)CCC3
InChIInChI=1S/C16H18N2O3/c19-8-2-7-17-15-11-3-1-4-13(11)18-14-6-5-10(16(20)21)9-12(14)15/h5-6,9,19H,1-4,7-8H2,(H,17,18)(H,20,21)/p-1
InChIKeyYNXABGVLQCEAJK-UHFFFAOYSA-M
MW285.32 g/mol
LogP0.88
Rot. Bonds5

About 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate

9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate (PubChem CID 7138240) has the molecular formula C16H17N2O3- and a molecular weight of 285.32 g/mol. Its IUPAC name is 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate.

Molecular Properties

Compound Name9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
PubChem CID7138240
Molecular FormulaC16H17N2O3-
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
SMILESO=C([O-])c1ccc2nc3c(c(NCCCO)c2c1)CCC3
InChIInChI=1S/C16H18N2O3/c19-8-2-7-17-15-11-3-1-4-13(11)18-14-6-5-10(16(20)21)9-12(14)15/h5-6,9,19H,1-4,7-8H2,(H,17,18)(H,20,21)/p-1
InChIKeyYNXABGVLQCEAJK-UHFFFAOYSA-M
XLogP0.88
TPSA85.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
CID 7138238
9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138224
9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138246
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate
CID 123212163
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175777015
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
CID 166382730

Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate?
The IUPAC name of 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate (CID 7138240) is 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate.
What is the SMILES notation for 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate?
The canonical SMILES for 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate is O=C([O-])c1ccc2nc3c(c(NCCCO)c2c1)CCC3.
What is the InChIKey of 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate?
The InChIKey is YNXABGVLQCEAJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O3/c19-8-2-7-17-15-11-3-1-4-13(11)18-14-6-5-10(16(20)21)9-12(14)15/h5-6,9,19H,1-4,7-8H2,(H,17,18)(H,20,21)/p-1.
What are the key properties of 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate?
9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate is sourced from PubChem (CID 7138240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).