6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine

C14H18F2N4 — CID 145408801

IUPAC6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine
SMILES[H]/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(NC)CCC2
InChIInChI=1S/C14H18F2N4/c1-19-20-4-2-3-9-5-11(10(7-17)8-18)12(14(15)16)6-13(9)20/h5-8,14,17,19H,2-4,18H2,1H3/b10-8+,17-7+
InChIKeyHSTMIXKLKSLQTR-UKNPCATOSA-N
MW280.32 g/mol
LogP2.46
Rot. Bonds4

About 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine

6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine (PubChem CID 145408801) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine
PubChem CID145408801
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine
SMILES[H]/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(NC)CCC2
InChIInChI=1S/C14H18F2N4/c1-19-20-4-2-3-9-5-11(10(7-17)8-18)12(14(15)16)6-13(9)20/h5-8,14,17,19H,2-4,18H2,1H3/b10-8+,17-7+
InChIKeyHSTMIXKLKSLQTR-UKNPCATOSA-N
XLogP2.46
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-7-trifluoromethyl-1,2,3,4-tetrahydro-cinnoline
CID 66846251
1-Methyl-6-trifluoromethyl-1,2,3,4-tetrahydro-cinnoline
CID 66846753
1-Methyl-5-trifluoromethyl-1,2,3,4-tetrahydro-cinnoline
CID 66847309
(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]-N,N'-dimethylprop-1-ene-1,3-diamine
CID 132181665
(Z)-2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 132181678
(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine
CID 139398501
Ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142872828
1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine
CID 144838740
7-(difluoromethyl)-1-heptan-3-yl-6-(2-methyl-1,5-dihydropyrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 145091402
1-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanamine
CID 145105781

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine?
The IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine (CID 145408801) is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine.
What is the SMILES notation for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine?
The canonical SMILES for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine is [H]/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(NC)CCC2.
What is the InChIKey of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine?
The InChIKey is HSTMIXKLKSLQTR-UKNPCATOSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-19-20-4-2-3-9-5-11(10(7-17)8-18)12(14(15)16)6-13(9)20/h5-8,14,17,19H,2-4,18H2,1H3/b10-8+,17-7+.
What are the key properties of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine?
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine is sourced from PubChem (CID 145408801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).