4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium

C19H26N3O2+ — CID 7138238

IUPAC4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
SMILESC[NH+](C)CCCCNc1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C19H25N3O2/c1-22(2)11-4-3-10-20-18-14-6-5-7-16(14)21-17-9-8-13(19(23)24)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3,(H,20,21)(H,23,24)/p+1
InChIKeySYKMBJCMPJKYQU-UHFFFAOYSA-O
MW328.44 g/mol
LogP1.76
Rot. Bonds7

About 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium

4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium (PubChem CID 7138238) has the molecular formula C19H26N3O2+ and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium.

Molecular Properties

Compound Name4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
PubChem CID7138238
Molecular FormulaC19H26N3O2+
Molecular Weight328.44 g/mol
Exact Mass328.20
IUPAC Name4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
SMILESC[NH+](C)CCCCNc1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C19H25N3O2/c1-22(2)11-4-3-10-20-18-14-6-5-7-16(14)21-17-9-8-13(19(23)24)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3,(H,20,21)(H,23,24)/p+1
InChIKeySYKMBJCMPJKYQU-UHFFFAOYSA-O
XLogP1.76
TPSA66.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium with MolForge

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Related Compounds

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
9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
CID 7138240
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
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
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138253
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138217
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646

Frequently Asked Questions

What is the IUPAC name of 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium?
The IUPAC name of 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium (CID 7138238) is 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium.
What is the SMILES notation for 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium?
The canonical SMILES for 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium is C[NH+](C)CCCCNc1c2c(nc3ccc(C(=O)O)cc13)CCC2.
What is the InChIKey of 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium?
The InChIKey is SYKMBJCMPJKYQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)11-4-3-10-20-18-14-6-5-7-16(14)21-17-9-8-13(19(23)24)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3,(H,20,21)(H,23,24)/p+1.
What are the key properties of 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium?
4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium has a molecular weight of 328.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium is sourced from PubChem (CID 7138238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).