N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine

C25H34F2N4 — CID 145092344

IUPACN-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C(\C1=C(NC2CCCCC2)CCN(C(=C)C)C1)N1CCCc2ccc(C(F)F)cc21
InChIInChI=1S/C25H34F2N4/c1-17(2)30-14-12-22(29-20-8-4-3-5-9-20)21(16-30)25(28)31-13-6-7-18-10-11-19(24(26)27)15-23(18)31/h10-11,15,20,24,28-29H,1,3-9,12-14,16H2,2H3/b28-25+
InChIKeyUGUOBHSFQRFCGO-AZPGRJICSA-N
MW428.57 g/mol
LogP5.77
Rot. Bonds5

About N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine

N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 145092344) has the molecular formula C25H34F2N4 and a molecular weight of 428.57 g/mol. Its IUPAC name is N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID145092344
Molecular FormulaC25H34F2N4
Molecular Weight428.57 g/mol
Exact Mass428.28
IUPAC NameN-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C(\C1=C(NC2CCCCC2)CCN(C(=C)C)C1)N1CCCc2ccc(C(F)F)cc21
InChIInChI=1S/C25H34F2N4/c1-17(2)30-14-12-22(29-20-8-4-3-5-9-20)21(16-30)25(28)31-13-6-7-18-10-11-19(24(26)27)15-23(18)31/h10-11,15,20,24,28-29H,1,3-9,12-14,16H2,2H3/b28-25+
InChIKeyUGUOBHSFQRFCGO-AZPGRJICSA-N
XLogP5.77
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine (CID 145092344) is N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine is [H]/N=C(\C1=C(NC2CCCCC2)CCN(C(=C)C)C1)N1CCCc2ccc(C(F)F)cc21.
What is the InChIKey of N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is UGUOBHSFQRFCGO-AZPGRJICSA-N. The full InChI is InChI=1S/C25H34F2N4/c1-17(2)30-14-12-22(29-20-8-4-3-5-9-20)21(16-30)25(28)31-13-6-7-18-10-11-19(24(26)27)15-23(18)31/h10-11,15,20,24,28-29H,1,3-9,12-14,16H2,2H3/b28-25+.
What are the key properties of N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine?
N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 428.57 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 145092344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).