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

C20H19FN4O2 — CID 67962013

IUPACN-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCOc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O2/c1-10-11(2)24-15-8-7-12(19(26)25-20(22)23)9-13(15)17(10)18-14(21)5-4-6-16(18)27-3/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyXMQRPWZJKFDZOG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.08
Rot. Bonds3

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

N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide (PubChem CID 67962013) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide
PubChem CID67962013
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCOc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O2/c1-10-11(2)24-15-8-7-12(19(26)25-20(22)23)9-13(15)17(10)18-14(21)5-4-6-16(18)27-3/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyXMQRPWZJKFDZOG-UHFFFAOYSA-N
XLogP3.08
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide
CID 67961470
N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
CID 67961486
1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol
CID 67967694
N-(diaminomethylidene)-1-(2,6-difluorophenyl)-4-methylisoquinoline-7-carboxamide
CID 50923720
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
6-N-(diaminomethylidene)-4-(2,4,6-trifluorophenyl)quinoline-2,6-dicarboxamide
CID 67961397
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
CID 46865262
N-(diaminomethylidene)-2-(trifluoromethyl)-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide
CID 88533346
1-(4-chloro-2-methoxyphenyl)-N-(diaminomethylidene)-4-fluoroisoquinoline-7-carboxamide
CID 67962015
N-(diaminomethylidene)-8-(4-fluorophenyl)naphthalene-2-carboxamide
CID 58553663
3-chloro-N-(diaminomethylidene)-4-(4-methylphenyl)quinoline-6-carboxamide
CID 67961452
4-(4-chloro-2,6-difluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961380

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide (CID 67962013) is N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide is COc1cccc(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-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide?
The InChIKey is XMQRPWZJKFDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-10-11(2)24-15-8-7-12(19(26)25-20(22)23)9-13(15)17(10)18-14(21)5-4-6-16(18)27-3/h4-9H,1-3H3,(H4,22,23,25,26).
What are the key properties of N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide?
N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 67962013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).