N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine

C20H15N3 — CID 7721506

IUPACN-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
SMILESC(=N\Nc1cccc2cccnc12)\c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3/c1-2-6-18-13-15(10-11-16(18)5-1)14-22-23-19-9-3-7-17-8-4-12-21-20(17)19/h1-14,23H/b22-14-
InChIKeyHVNMOTDZVCFBFH-HMAPJEAMSA-N
MW297.36 g/mol
LogP4.83
Rot. Bonds3

About N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine

N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine (PubChem CID 7721506) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
PubChem CID7721506
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC NameN-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
SMILESC(=N\Nc1cccc2cccnc12)\c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3/c1-2-6-18-13-15(10-11-16(18)5-1)14-22-23-19-9-3-7-17-8-4-12-21-20(17)19/h1-14,23H/b22-14-
InChIKeyHVNMOTDZVCFBFH-HMAPJEAMSA-N
XLogP4.83
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'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 N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine?
The IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine (CID 7721506) is N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine is C(=N\Nc1cccc2cccnc12)\c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine?
The InChIKey is HVNMOTDZVCFBFH-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H15N3/c1-2-6-18-13-15(10-11-16(18)5-1)14-22-23-19-9-3-7-17-8-4-12-21-20(17)19/h1-14,23H/b22-14-.
What are the key properties of N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine?
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine has a molecular weight of 297.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine is sourced from PubChem (CID 7721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).