7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol

C20H25ClN2O2 — CID 45137622

IUPAC7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol
SMILESCCCNC1c2cc3nc(Cl)cc(C)c3cc2OC2(CCCC2)C1O
InChIInChI=1S/C20H25ClN2O2/c1-3-8-22-18-14-10-15-13(12(2)9-17(21)23-15)11-16(14)25-20(19(18)24)6-4-5-7-20/h9-11,18-19,22,24H,3-8H2,1-2H3
InChIKeyGTMASOJBGFNRBE-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.30
Rot. Bonds3

About 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol

7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol (PubChem CID 45137622) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol.

Molecular Properties

Compound Name7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol
PubChem CID45137622
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol
SMILESCCCNC1c2cc3nc(Cl)cc(C)c3cc2OC2(CCCC2)C1O
InChIInChI=1S/C20H25ClN2O2/c1-3-8-22-18-14-10-15-13(12(2)9-17(21)23-15)11-16(14)25-20(19(18)24)6-4-5-7-20/h9-11,18-19,22,24H,3-8H2,1-2H3
InChIKeyGTMASOJBGFNRBE-UHFFFAOYSA-N
XLogP4.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol?
The IUPAC name of 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol (CID 45137622) is 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol.
What is the SMILES notation for 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol?
The canonical SMILES for 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol is CCCNC1c2cc3nc(Cl)cc(C)c3cc2OC2(CCCC2)C1O.
What is the InChIKey of 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol?
The InChIKey is GTMASOJBGFNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-3-8-22-18-14-10-15-13(12(2)9-17(21)23-15)11-16(14)25-20(19(18)24)6-4-5-7-20/h9-11,18-19,22,24H,3-8H2,1-2H3.
What are the key properties of 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol?
7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol has a molecular weight of 360.89 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol is sourced from PubChem (CID 45137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).