(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C18H19NO — CID 134863942

IUPAC(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESC1=CC2=NC(c3ccccc3)[C@@H]3CCCO[C@@H]3C2C=C1
InChIInChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,14-15,17-18H,6,10,12H2/t14?,15-,17?,18+/m0/s1
InChIKeyHXYYXCGWTGVLOU-QZOMQWOVSA-N
MW265.36 g/mol
LogP3.72
Rot. Bonds1

About (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 134863942) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID134863942
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESC1=CC2=NC(c3ccccc3)[C@@H]3CCCO[C@@H]3C2C=C1
InChIInChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,14-15,17-18H,6,10,12H2/t14?,15-,17?,18+/m0/s1
InChIKeyHXYYXCGWTGVLOU-QZOMQWOVSA-N
XLogP3.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-cyclohexa-1,3-dien-1-yl-6-(3-fluorophenyl)-8-methoxy-6,7,8,8a-tetrahydro-3H-quinolin-4-imine
CID 123927495
5-phenyl-4a,6a,10a,10b-tetrahydro-4H-pyrano[3,2-c]quinoline
CID 91077288
N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]-1,1-diphenylmethanimine
CID 168306243
2,5-Dimethyl-4-phenyl-5,6-dihydro-4H-[1,3]oxazine
CID 605013
4-Benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
CID 10925895
3-Ethoxy-1-phenyl-1,4-dihydroisoquinoline
CID 15047391
6-Ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 21406190
N-[4-(5-ethyl-3-methylcyclohexa-1,3-dien-1-yl)-6-pentoxy-2-propan-2-ylidenecyclohex-3-en-1-yl]-1-phenylethanimine
CID 123439532
3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine
CID 135194798
2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine
CID 10889351
3-Ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
CID 10890781
2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine
CID 11470618

Frequently Asked Questions

What is the IUPAC name of (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 134863942) is (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline is C1=CC2=NC(c3ccccc3)[C@@H]3CCCO[C@@H]3C2C=C1.
What is the InChIKey of (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is HXYYXCGWTGVLOU-QZOMQWOVSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,14-15,17-18H,6,10,12H2/t14?,15-,17?,18+/m0/s1.
What are the key properties of (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 265.36 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 134863942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).