N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide

C22H24N4O — CID 6110691

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3nc2C)cc1
InChIInChI=1S/C22H24N4O/c1-4-26(5-2)19-12-10-17(11-13-19)15-23-25-22(27)20-14-18-8-6-7-9-21(18)24-16(20)3/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15-
InChIKeyJSAWLJCPXXMEJH-HAHDFKILSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide (PubChem CID 6110691) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
PubChem CID6110691
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3nc2C)cc1
InChIInChI=1S/C22H24N4O/c1-4-26(5-2)19-12-10-17(11-13-19)15-23-25-22(27)20-14-18-8-6-7-9-21(18)24-16(20)3/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15-
InChIKeyJSAWLJCPXXMEJH-HAHDFKILSA-N
XLogP4.15
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 838467
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024471
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide (CID 6110691) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3nc2C)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide?
The InChIKey is JSAWLJCPXXMEJH-HAHDFKILSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(5-2)19-12-10-17(11-13-19)15-23-25-22(27)20-14-18-8-6-7-9-21(18)24-16(20)3/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 6110691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).