6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide

C18H18N4O — CID 71061001

IUPAC6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H18N4O/c1-11(2)20-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)21-22-17(16)18(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,21)
InChIKeyOAJITOJGANWFBS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.22
Rot. Bonds4

About 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide

6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71061001) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71061001
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H18N4O/c1-11(2)20-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)21-22-17(16)18(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,21)
InChIKeyOAJITOJGANWFBS-UHFFFAOYSA-N
XLogP3.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71061001) is 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is OAJITOJGANWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11(2)20-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)21-22-17(16)18(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide?
6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71061001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).