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

C18H18N4O — CID 174797752

IUPAC6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide
SMILESCC(C)Nc1ccc(-c2ccc3nnc(C(N)=O)cc3c2)cc1
InChIInChI=1S/C18H18N4O/c1-11(2)20-15-6-3-12(4-7-15)13-5-8-16-14(9-13)10-17(18(19)23)22-21-16/h3-11,20H,1-2H3,(H2,19,23)
InChIKeyWJNNZTRLNPBPDF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.22
Rot. Bonds4

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

6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide (PubChem CID 174797752) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide
PubChem CID174797752
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide
SMILESCC(C)Nc1ccc(-c2ccc3nnc(C(N)=O)cc3c2)cc1
InChIInChI=1S/C18H18N4O/c1-11(2)20-15-6-3-12(4-7-15)13-5-8-16-14(9-13)10-17(18(19)23)22-21-16/h3-11,20H,1-2H3,(H2,19,23)
InChIKeyWJNNZTRLNPBPDF-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-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide?
The IUPAC name of 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide (CID 174797752) is 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide.
What is the SMILES notation for 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide?
The canonical SMILES for 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide is CC(C)Nc1ccc(-c2ccc3nnc(C(N)=O)cc3c2)cc1.
What is the InChIKey of 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide?
The InChIKey is WJNNZTRLNPBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11(2)20-15-6-3-12(4-7-15)13-5-8-16-14(9-13)10-17(18(19)23)22-21-16/h3-11,20H,1-2H3,(H2,19,23).
What are the key properties of 6-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide?
6-[4-(propan-2-ylamino)phenyl]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-[4-(propan-2-ylamino)phenyl]cinnoline-3-carboxamide is sourced from PubChem (CID 174797752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).