4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol

C18H16ClN3O — CID 135758857

IUPAC4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(O)cc1
InChIInChI=1S/C18H16ClN3O/c1-11-9-18(20-17-8-5-14(19)10-16(11)17)22-21-12(2)13-3-6-15(23)7-4-13/h3-10,23H,1-2H3,(H,20,22)/b21-12+
InChIKeyFZCDCRNMALYBQA-CIAFOILYSA-N
MW325.80 g/mol
LogP4.74
Rot. Bonds3

About 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol

4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol (PubChem CID 135758857) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
PubChem CID135758857
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(O)cc1
InChIInChI=1S/C18H16ClN3O/c1-11-9-18(20-17-8-5-14(19)10-16(11)17)22-21-12(2)13-3-6-15(23)7-4-13/h3-10,23H,1-2H3,(H,20,22)/b21-12+
InChIKeyFZCDCRNMALYBQA-CIAFOILYSA-N
XLogP4.74
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
N-(1-phenylethylideneamino)quinolin-2-amine
CID 618819
(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10809137
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
CID 2842007
4-[N-[(4-amino-6-chloropyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 2842121
methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
CID 8982355
6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519
2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
CID 4291691
1-(4-chlorophenyl)-2-[3-[(6-hydroxy-4-methylquinolin-2-yl)amino]pyrrolidin-1-yl]ethane-1,2-dione
CID 67443630

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol (CID 135758857) is 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is FZCDCRNMALYBQA-CIAFOILYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-11-9-18(20-17-8-5-14(19)10-16(11)17)22-21-12(2)13-3-6-15(23)7-4-13/h3-10,23H,1-2H3,(H,20,22)/b21-12+.
What are the key properties of 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 325.80 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135758857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).