7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine

C24H18ClN3 — CID 3692666

IUPAC7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine
SMILESClc1ccc2c(NN=C3CC(c4ccccc4)c4ccccc43)ccnc2c1
InChIInChI=1S/C24H18ClN3/c25-17-10-11-20-22(12-13-26-23(20)14-17)27-28-24-15-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24/h1-14,21H,15H2,(H,26,27)
InChIKeyVJVPDIJYBUBADB-UHFFFAOYSA-N
MW383.88 g/mol
LogP6.24
Rot. Bonds3

About 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine

7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine (PubChem CID 3692666) has the molecular formula C24H18ClN3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine
PubChem CID3692666
Molecular FormulaC24H18ClN3
Molecular Weight383.88 g/mol
Exact Mass383.12
IUPAC Name7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine
SMILESClc1ccc2c(NN=C3CC(c4ccccc4)c4ccccc43)ccnc2c1
InChIInChI=1S/C24H18ClN3/c25-17-10-11-20-22(12-13-26-23(20)14-17)27-28-24-15-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24/h1-14,21H,15H2,(H,26,27)
InChIKeyVJVPDIJYBUBADB-UHFFFAOYSA-N
XLogP6.24
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine
CID 171353631
trans-(1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 11660608
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
CID 3638554
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine (CID 3692666) is 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine is Clc1ccc2c(NN=C3CC(c4ccccc4)c4ccccc43)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine?
The InChIKey is VJVPDIJYBUBADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3/c25-17-10-11-20-22(12-13-26-23(20)14-17)27-28-24-15-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24/h1-14,21H,15H2,(H,26,27).
What are the key properties of 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine?
7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine has a molecular weight of 383.88 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine is sourced from PubChem (CID 3692666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).