7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline

C22H19NO — CID 132916009

IUPAC7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline
SMILESC=CCC1OC(c2ccccc2)=Cc2nc3cc(C)ccc3cc21
InChIInChI=1S/C22H19NO/c1-3-7-21-18-13-17-11-10-15(2)12-19(17)23-20(18)14-22(24-21)16-8-5-4-6-9-16/h3-6,8-14,21H,1,7H2,2H3
InChIKeyLXIQHXLZLRKNQA-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.69
Rot. Bonds3

About 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline

7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline (PubChem CID 132916009) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline.

Molecular Properties

Compound Name7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline
PubChem CID132916009
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline
SMILESC=CCC1OC(c2ccccc2)=Cc2nc3cc(C)ccc3cc21
InChIInChI=1S/C22H19NO/c1-3-7-21-18-13-17-11-10-15(2)12-19(17)23-20(18)14-22(24-21)16-8-5-4-6-9-16/h3-6,8-14,21H,1,7H2,2H3
InChIKeyLXIQHXLZLRKNQA-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-phenyl-1-prop-2-enyl-1H-isochromene
CID 101372782
1,3,6-trimethyl-1,2-dihydroacridine
CID 167262905
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
7-methyl-2,4-diphenylquinoline
CID 13048584
7-methyl-2-phenylquinazoline
CID 102363369
[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane
CID 101372785
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
6-methyl-13-phenyl-10,14-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2(11),3,5,7,9,12,15,17,19-nonaen-21-one
CID 132851384
3-(4-methoxyphenyl)-1,4-bis(prop-2-enyl)-1H-isochromene
CID 86210679
methane;2-methyl-6-phenylnaphthalene
CID 144703390
5-(5-methyl-2-phenylphenyl)-5H-tetrazole
CID 174342185

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline?
The IUPAC name of 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline (CID 132916009) is 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline.
What is the SMILES notation for 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline?
The canonical SMILES for 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline is C=CCC1OC(c2ccccc2)=Cc2nc3cc(C)ccc3cc21.
What is the InChIKey of 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline?
The InChIKey is LXIQHXLZLRKNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-7-21-18-13-17-11-10-15(2)12-19(17)23-20(18)14-22(24-21)16-8-5-4-6-9-16/h3-6,8-14,21H,1,7H2,2H3.
What are the key properties of 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline?
7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline has a molecular weight of 313.40 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1-prop-2-enyl-1H-pyrano[4,3-b]quinoline is sourced from PubChem (CID 132916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).