N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine

C29H30F3N3 — CID 72703697

IUPACN,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C29H30F3N3/c1-3-34(4-2)18-8-19-35-20-17-27(26-16-13-24(21-28(26)35)29(30,31)32)33-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b33-27+
InChIKeyUQDMNJRTEJBTAK-MUGXBBEHSA-N
MW477.57 g/mol
LogP7.29
Rot. Bonds8

About N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine

N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine (PubChem CID 72703697) has the molecular formula C29H30F3N3 and a molecular weight of 477.57 g/mol. Its IUPAC name is N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine
PubChem CID72703697
Molecular FormulaC29H30F3N3
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C29H30F3N3/c1-3-34(4-2)18-8-19-35-20-17-27(26-16-13-24(21-28(26)35)29(30,31)32)33-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b33-27+
InChIKeyUQDMNJRTEJBTAK-MUGXBBEHSA-N
XLogP7.29
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine (CID 72703697) is N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine is CCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine?
The InChIKey is UQDMNJRTEJBTAK-MUGXBBEHSA-N. The full InChI is InChI=1S/C29H30F3N3/c1-3-34(4-2)18-8-19-35-20-17-27(26-16-13-24(21-28(26)35)29(30,31)32)33-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b33-27+.
What are the key properties of N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine?
N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine has a molecular weight of 477.57 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]propan-1-amine is sourced from PubChem (CID 72703697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).