4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide

C19H20N4O — CID 54582352

IUPAC4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N
InChIInChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyJMRHVJPVNLBGRZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.33
Rot. Bonds4

About 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 54582352) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID54582352
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N
InChIInChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyJMRHVJPVNLBGRZ-UHFFFAOYSA-N
XLogP3.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide (CID 54582352) is 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N.
What is the InChIKey of 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is JMRHVJPVNLBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 54582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).