4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide

C20H22N4O — CID 25132065

IUPAC4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N
InChIInChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyNTSIBLRVVRGOLO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds4

About 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 25132065) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID25132065
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N
InChIInChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyNTSIBLRVVRGOLO-UHFFFAOYSA-N
XLogP3.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide (CID 25132065) is 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is NTSIBLRVVRGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 25132065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).