N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide

C20H19FN4O — CID 67961486

IUPACN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyHKFWDRSKNGLBNE-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.38
Rot. Bonds2

About N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide

N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide (PubChem CID 67961486) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
PubChem CID67961486
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyHKFWDRSKNGLBNE-UHFFFAOYSA-N
XLogP3.38
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Methylquinoline-4-carboxamide
CID 85122
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
CID 154702659
2-Methylquinoline-8-carboxamide
CID 21195867
2-Phenylquinoline-8-carboxamide
CID 44156952
4-[(2,6-Dimethylbenzyl)amino]-2-Methylquinoline-8-Carboxamide
CID 91827500
(R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)nicotinamide
CID 25156752
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
2-Phenylquinoline-4-carboxamide
CID 185680
2-Ethylquinoline-8-carboxamide
CID 25208752
2,6-Dimethyl-5-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]pyridine-3-carboxamide
CID 56666239

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide (CID 67961486) is N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide is Cc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12.
What is the InChIKey of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The InChIKey is HKFWDRSKNGLBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26).
What are the key properties of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 67961486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).