3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine

C28H30ClN3 — CID 72703695

IUPAC3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C28H30ClN3/c1-3-31(4-2)18-8-19-32-20-17-27(26-16-13-24(29)21-28(26)32)30-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b30-27+
InChIKeyPFXVXWVJCCSXGB-KDJFERLWSA-N
MW444.02 g/mol
LogP6.93
Rot. Bonds8

About 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine

3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 72703695) has the molecular formula C28H30ClN3 and a molecular weight of 444.02 g/mol. Its IUPAC name is 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine
PubChem CID72703695
Molecular FormulaC28H30ClN3
Molecular Weight444.02 g/mol
Exact Mass443.21
IUPAC Name3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C28H30ClN3/c1-3-31(4-2)18-8-19-32-20-17-27(26-16-13-24(29)21-28(26)32)30-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b30-27+
InChIKeyPFXVXWVJCCSXGB-KDJFERLWSA-N
XLogP6.93
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.02
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10338126
Butyl-[7-chloro-1-(3-phenyl-propyl)-1H-quinolin-(4E)-ylidene]-amine
CID 10247467
[7-Chloro-1-(3,4-dichloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 23276937
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-propyl-amine
CID 9796735
1-benzyl-7-chloro-N-propylquinolin-4-imine;hydrochloride
CID 9884639
2-[[7-chloro-1-[(2-chlorophenyl)methyl]quinolin-4-ylidene]amino]-N,N-diethylethanamine
CID 44298555
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-isobutyl-amine
CID 44298601
[7-Chloro-1-(4-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298968
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 9974422
[1-(4-Chloro-benzyl)-6-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10250802
[1-(4-Chloro-benzyl)-8-fluoro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10428385
[1-(4-Chloro-benzyl)-7-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10431492

Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine (CID 72703695) is 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is PFXVXWVJCCSXGB-KDJFERLWSA-N. The full InChI is InChI=1S/C28H30ClN3/c1-3-31(4-2)18-8-19-32-20-17-27(26-16-13-24(29)21-28(26)32)30-25-14-11-23(12-15-25)22-9-6-5-7-10-22/h5-7,9-17,20-21H,3-4,8,18-19H2,1-2H3/b30-27+.
What are the key properties of 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine?
3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 444.02 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 72703695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).