4-amino-8-phenyl-N-propylcinnoline-3-carboxamide

C18H18N4O — CID 14012376

IUPAC4-amino-8-phenyl-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N
InChIInChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23)
InChIKeyHLKQVESZETYPOB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide

4-amino-8-phenyl-N-propylcinnoline-3-carboxamide (PubChem CID 14012376) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-phenyl-N-propylcinnoline-3-carboxamide
PubChem CID14012376
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-amino-8-phenyl-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N
InChIInChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23)
InChIKeyHLKQVESZETYPOB-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide (CID 14012376) is 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N.
What is the InChIKey of 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide?
The InChIKey is HLKQVESZETYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide?
4-amino-8-phenyl-N-propylcinnoline-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-phenyl-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 14012376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).