7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C19H21NOS — CID 58956771

IUPAC7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1cc(C2CC2)c2c(c1)C1OCCCC1C(c1ccsc1)N2
InChIInChI=1S/C19H21NOS/c1-3-14(12-6-7-12)18-16(4-1)19-15(5-2-9-21-19)17(20-18)13-8-10-22-11-13/h1,3-4,8,10-12,15,17,19-20H,2,5-7,9H2
InChIKeyCWCMZPQYAKKTJO-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.26
Rot. Bonds2

About 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 58956771) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID58956771
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1cc(C2CC2)c2c(c1)C1OCCCC1C(c1ccsc1)N2
InChIInChI=1S/C19H21NOS/c1-3-14(12-6-7-12)18-16(4-1)19-15(5-2-9-21-19)17(20-18)13-8-10-22-11-13/h1,3-4,8,10-12,15,17,19-20H,2,5-7,9H2
InChIKeyCWCMZPQYAKKTJO-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 58956771) is 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is c1cc(C2CC2)c2c(c1)C1OCCCC1C(c1ccsc1)N2.
What is the InChIKey of 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is CWCMZPQYAKKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-3-14(12-6-7-12)18-16(4-1)19-15(5-2-9-21-19)17(20-18)13-8-10-22-11-13/h1,3-4,8,10-12,15,17,19-20H,2,5-7,9H2.
What are the key properties of 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 311.45 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 58956771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).