(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline

C16H19NO — CID 165056031

IUPAC(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline
SMILESCC(C)c1ccc2cc3c(nc2c1)CO[C@@H](C)C3
InChIInChI=1S/C16H19NO/c1-10(2)12-4-5-13-7-14-6-11(3)18-9-16(14)17-15(13)8-12/h4-5,7-8,10-11H,6,9H2,1-3H3/t11-/m0/s1
InChIKeyNBDRYRKTTSSFCW-NSHDSACASA-N
MW241.33 g/mol
LogP3.82
Rot. Bonds1

About (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline

(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline (PubChem CID 165056031) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline.

Molecular Properties

Compound Name(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline
PubChem CID165056031
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline
SMILESCC(C)c1ccc2cc3c(nc2c1)CO[C@@H](C)C3
InChIInChI=1S/C16H19NO/c1-10(2)12-4-5-13-7-14-6-11(3)18-9-16(14)17-15(13)8-12/h4-5,7-8,10-11H,6,9H2,1-3H3/t11-/m0/s1
InChIKeyNBDRYRKTTSSFCW-NSHDSACASA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004844
(3R)-3-cyclobutyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004848
6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 164969621
benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 155732217
7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
CID 155362858
2-iodo-7-propan-2-ylquinoline
CID 155701301
2,8-di(propan-2-yl)phenazine
CID 70800003
2-methoxy-7-propan-2-ylquinoline
CID 58290673
7-propan-2-yl-3-(trifluoromethyl)quinoline
CID 59352046
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
N-phenyl-7-propan-2-ylquinolin-2-amine
CID 126500193
ethane;2-propan-2-ylnaphthalene
CID 142226111

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline?
The IUPAC name of (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline (CID 165056031) is (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline.
What is the SMILES notation for (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline?
The canonical SMILES for (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline is CC(C)c1ccc2cc3c(nc2c1)CO[C@@H](C)C3.
What is the InChIKey of (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline?
The InChIKey is NBDRYRKTTSSFCW-NSHDSACASA-N. The full InChI is InChI=1S/C16H19NO/c1-10(2)12-4-5-13-7-14-6-11(3)18-9-16(14)17-15(13)8-12/h4-5,7-8,10-11H,6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline?
(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline has a molecular weight of 241.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline is sourced from PubChem (CID 165056031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).