7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol

C22H29ClN2O2 — CID 87323644

IUPAC7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NC(C)C1CCCC1
InChIInChI=1S/C22H29ClN2O2/c1-12-9-19(23)25-17-10-16-18(11-15(12)17)27-22(3,4)21(26)20(16)24-13(2)14-7-5-6-8-14/h9-11,13-14,20-21,24,26H,5-8H2,1-4H3
InChIKeyFCUPJLICWBJIOS-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.94
Rot. Bonds3

About 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol

7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 87323644) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID87323644
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NC(C)C1CCCC1
InChIInChI=1S/C22H29ClN2O2/c1-12-9-19(23)25-17-10-16-18(11-15(12)17)27-22(3,4)21(26)20(16)24-13(2)14-7-5-6-8-14/h9-11,13-14,20-21,24,26H,5-8H2,1-4H3
InChIKeyFCUPJLICWBJIOS-UHFFFAOYSA-N
XLogP4.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-Chlorophenoxy)-6,8-dimethylquinolin-4-yl]-piperidin-2-ylmethanol
CID 44361341
1-[2-(4-Chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669173
7-(Hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11703855
(3R,4S)-7-hydroxymethyl-2,2,9-trimethyl-4-(phenethylamino)-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol
CID 49801658
7-Chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11538903
7-Chloro-4-[2-(4-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11567836
(3R,4S)-4-[2-(4-fluorophenyl)ethylamino]-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 59134311
tert-butyl N-[(3R,4S)-7-chloro-3-hydroxy-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-4-yl]-N-[2-(4-fluorophenyl)ethyl]carbamate
CID 59134348
tert-butyl N-[(3R,4S)-7-chloro-3-hydroxy-2,2,9-trimethyl-6-oxido-3,4-dihydropyrano[2,3-g]quinolin-6-ium-4-yl]-N-[2-(4-fluorophenyl)ethyl]carbamate
CID 59134403
tert-butyl N-[(3R,4S)-7-chloro-3,6-dihydroxy-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-6-ium-4-yl]-N-[2-(4-fluorophenyl)ethyl]carbamate
CID 59240707
(3R,4S)-7-chloro-4-[2-(4-fluorophenyl)ethylamino]-6-hydroxy-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-6-ium-3-ol
CID 59240715
(3R,4S)-7-chloro-4-[2-(4-fluorophenyl)ethylamino]-2,2,9-trimethyl-6-oxido-3,4-dihydropyrano[2,3-g]quinolin-6-ium-3-ol
CID 59646757

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 87323644) is 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NC(C)C1CCCC1.
What is the InChIKey of 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is FCUPJLICWBJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-12-9-19(23)25-17-10-16-18(11-15(12)17)27-22(3,4)21(26)20(16)24-13(2)14-7-5-6-8-14/h9-11,13-14,20-21,24,26H,5-8H2,1-4H3.
What are the key properties of 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 388.94 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 87323644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).