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

C18H17FN4O — CID 71061401

IUPAC7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccccc3F)ccc12
InChIInChI=1S/C18H17FN4O/c1-10(2)21-16-13-8-7-11(12-5-3-4-6-14(12)19)9-15(13)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22)
InChIKeyRJLVQYBZABVEDD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.36
Rot. Bonds4

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

7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71061401) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71061401
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccccc3F)ccc12
InChIInChI=1S/C18H17FN4O/c1-10(2)21-16-13-8-7-11(12-5-3-4-6-14(12)19)9-15(13)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22)
InChIKeyRJLVQYBZABVEDD-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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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71061401) is 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2cc(-c3ccccc3F)ccc12.
What is the InChIKey of 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is RJLVQYBZABVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10(2)21-16-13-8-7-11(12-5-3-4-6-14(12)19)9-15(13)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 7-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
7-(2-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-(2-fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).