N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide

C27H28ClN3O — CID 50868948

IUPACN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCCCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O/c1-5-12-31-25-15-24(28)22(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)21-11-10-19-8-6-7-9-20(19)13-21/h6-11,13-17H,5,12H2,1-4H3,(H,30,32)/b29-17-
InChIKeyITHFMXSPWSYCOV-RHANQZHGSA-N
MW445.99 g/mol
LogP6.67
Rot. Bonds5

About N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 50868948) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID50868948
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC NameN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCCCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O/c1-5-12-31-25-15-24(28)22(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)21-11-10-19-8-6-7-9-20(19)13-21/h6-11,13-17H,5,12H2,1-4H3,(H,30,32)/b29-17-
InChIKeyITHFMXSPWSYCOV-RHANQZHGSA-N
XLogP6.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.67
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'}

Analyze N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50868835
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50868872
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50864943
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866862
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869212
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
5,7-dibromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50868838
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (CID 50868948) is N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is CCCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is ITHFMXSPWSYCOV-RHANQZHGSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-5-12-31-25-15-24(28)22(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)21-11-10-19-8-6-7-9-20(19)13-21/h6-11,13-17H,5,12H2,1-4H3,(H,30,32)/b29-17-.
What are the key properties of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 445.99 g/mol, XLogP of 6.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 50868948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).