2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine

C20H19N3 — CID 45481257

IUPAC2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine
SMILESCc1ccc2c(N/N=C/C=C/c3ccccc3)cc(C)nc2c1
InChIInChI=1S/C20H19N3/c1-15-10-11-18-19(13-15)22-16(2)14-20(18)23-21-12-6-9-17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b9-6+,21-12+
InChIKeyVPUOKUQSASLHGD-XZHCKZKCSA-N
MW301.39 g/mol
LogP4.96
Rot. Bonds4

About 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine

2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine (PubChem CID 45481257) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine.

Molecular Properties

Compound Name2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine
PubChem CID45481257
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine
SMILESCc1ccc2c(N/N=C/C=C/c3ccccc3)cc(C)nc2c1
InChIInChI=1S/C20H19N3/c1-15-10-11-18-19(13-15)22-16(2)14-20(18)23-21-12-6-9-17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b9-6+,21-12+
InChIKeyVPUOKUQSASLHGD-XZHCKZKCSA-N
XLogP4.96
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine?
The IUPAC name of 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine (CID 45481257) is 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine.
What is the SMILES notation for 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine?
The canonical SMILES for 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine is Cc1ccc2c(N/N=C/C=C/c3ccccc3)cc(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine?
The InChIKey is VPUOKUQSASLHGD-XZHCKZKCSA-N. The full InChI is InChI=1S/C20H19N3/c1-15-10-11-18-19(13-15)22-16(2)14-20(18)23-21-12-6-9-17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b9-6+,21-12+.
What are the key properties of 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine?
2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine is sourced from PubChem (CID 45481257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).