1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline

C16H18FN — CID 143016677

IUPAC1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
SMILESC=CC1=CN(C2CC2)C2=CC(C)=C(F)CC2C1=C
InChIInChI=1S/C16H18FN/c1-4-12-9-18(13-5-6-13)16-7-10(2)15(17)8-14(16)11(12)3/h4,7,9,13-14H,1,3,5-6,8H2,2H3
InChIKeyHDRGDDWXIUHFOX-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.24
Rot. Bonds2

About 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline

1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline (PubChem CID 143016677) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline.

Molecular Properties

Compound Name1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
PubChem CID143016677
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
SMILESC=CC1=CN(C2CC2)C2=CC(C)=C(F)CC2C1=C
InChIInChI=1S/C16H18FN/c1-4-12-9-18(13-5-6-13)16-7-10(2)15(17)8-14(16)11(12)3/h4,7,9,13-14H,1,3,5-6,8H2,2H3
InChIKeyHDRGDDWXIUHFOX-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
3-Ethyl-6-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-2,6,8(12)-triene
CID 142163112
N-[(E)-6-ethenyloct-6-en-3-yl]-6-fluoro-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 173842377
(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine
CID 162597607
3-Methylidene-15-(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene
CID 162608105
N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine
CID 71051949
1-Cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene
CID 123837778
1-(1-Cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine
CID 138498151
(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole
CID 138725676
N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 139324150

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline?
The IUPAC name of 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline (CID 143016677) is 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline.
What is the SMILES notation for 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline?
The canonical SMILES for 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline is C=CC1=CN(C2CC2)C2=CC(C)=C(F)CC2C1=C.
What is the InChIKey of 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline?
The InChIKey is HDRGDDWXIUHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-4-12-9-18(13-5-6-13)16-7-10(2)15(17)8-14(16)11(12)3/h4,7,9,13-14H,1,3,5-6,8H2,2H3.
What are the key properties of 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline?
1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline has a molecular weight of 243.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline is sourced from PubChem (CID 143016677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).