1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine

C16H22F2N4 — CID 145105781

IUPAC1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine
SMILESCC(N)N1CCCc2cc(C3C=NN(C)C3)c(C(F)F)cc21
InChIInChI=1S/C16H22F2N4/c1-10(19)22-5-3-4-11-6-13(12-8-20-21(2)9-12)14(16(17)18)7-15(11)22/h6-8,10,12,16H,3-5,9,19H2,1-2H3
InChIKeyVCTLNXUZRNTOLM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds3

About 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine

1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine (PubChem CID 145105781) has the molecular formula C16H22F2N4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine
PubChem CID145105781
Molecular FormulaC16H22F2N4
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine
SMILESCC(N)N1CCCc2cc(C3C=NN(C)C3)c(C(F)F)cc21
InChIInChI=1S/C16H22F2N4/c1-10(19)22-5-3-4-11-6-13(12-8-20-21(2)9-12)14(16(17)18)7-15(11)22/h6-8,10,12,16H,3-5,9,19H2,1-2H3
InChIKeyVCTLNXUZRNTOLM-UHFFFAOYSA-N
XLogP2.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine with MolForge

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Related Compounds

1-[6-Ethyl-4,4-dimethyl-1-(3,3,3-trifluoropropyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821707
1-[6-Ethyl-4,4-dimethyl-1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821708
(E)-2-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-N-(methylideneamino)prop-1-en-1-amine
CID 130440416
(E)-N-methyl-N-(methylideneamino)-2-[1-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-1-en-1-amine
CID 130440433
(Z)-2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 132181678
5-[8-(difluoromethyl)-7-(2-methyl-3,4-dihydropyrazol-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine
CID 139398974
7-(difluoromethyl)-1-heptan-3-yl-6-(2-methyl-1,5-dihydropyrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 145091402
2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine
CID 145408700
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine
CID 145408801
[2-[7-(Difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium
CID 154690099
5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine
CID 154690450
2-[7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 162575751

Frequently Asked Questions

What is the IUPAC name of 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The IUPAC name of 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine (CID 145105781) is 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine.
What is the SMILES notation for 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The canonical SMILES for 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine is CC(N)N1CCCc2cc(C3C=NN(C)C3)c(C(F)F)cc21.
What is the InChIKey of 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The InChIKey is VCTLNXUZRNTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4/c1-10(19)22-5-3-4-11-6-13(12-8-20-21(2)9-12)14(16(17)18)7-15(11)22/h6-8,10,12,16H,3-5,9,19H2,1-2H3.
What are the key properties of 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine has a molecular weight of 308.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine is sourced from PubChem (CID 145105781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).