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

C27H28ClN3O — CID 50868835

IUPACN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCCCN1c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O/c1-5-13-31-25-15-24(28)20(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)22-12-8-10-19-9-6-7-11-21(19)22/h6-12,14-17H,5,13H2,1-4H3,(H,30,32)/b29-17-
InChIKeyDOMJTDGFAMFWIX-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-1-carboxamide

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 50868835) 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-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID50868835
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-1-carboxamide
SMILESCCCN1c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O/c1-5-13-31-25-15-24(28)20(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)22-12-8-10-19-9-6-7-11-21(19)22/h6-12,14-17H,5,13H2,1-4H3,(H,30,32)/b29-17-
InChIKeyDOMJTDGFAMFWIX-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-1-carboxamide with MolForge

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Related Compounds

N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50864943
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
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170243
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50869439
5,7-dibromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50868838
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50864873

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide (CID 50868835) is N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide is CCCN1c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is DOMJTDGFAMFWIX-RHANQZHGSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-5-13-31-25-15-24(28)20(14-23(25)18(2)16-27(31,3)4)17-29-30-26(32)22-12-8-10-19-9-6-7-11-21(19)22/h6-12,14-17H,5,13H2,1-4H3,(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-1-carboxamide?
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-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-1-carboxamide is sourced from PubChem (CID 50868835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).