7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide

C18H17FN4O — CID 71061190

IUPAC7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C18H17FN4O/c1-10(2)21-16-14-8-5-12(11-3-6-13(19)7-4-11)9-15(14)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22)
InChIKeyJQNIXUJZAIWKNM-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.36
Rot. Bonds4

About 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide

7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71061190) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71061190
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C18H17FN4O/c1-10(2)21-16-14-8-5-12(11-3-6-13(19)7-4-11)9-15(14)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22)
InChIKeyJQNIXUJZAIWKNM-UHFFFAOYSA-N
XLogP3.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
CID 14012378
4-[[(2R)-butan-2-yl]amino]-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 71061036
4-[[(1R)-1-cyclopropylethyl]amino]-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 71061505
4-Amino-8-phenyl-N-propyl-3-cinnolinecarboxamide
CID 14012376
4-amino-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
CID 25132065
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443
4-amino-8-(2,6-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183555
4-amino-8-(3,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183558
4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
CID 54582352
4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 54583334
4-(Isopropylamino)-N-methyl-7-(4-(methylsulfonyl)phenyl) cinnoline-3-carboxamide
CID 71060772
4-(Cyclobutylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 71060894

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71061190) is 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is JQNIXUJZAIWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10(2)21-16-14-8-5-12(11-3-6-13(19)7-4-11)9-15(14)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71061190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).