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

C20H22N4O3 — CID 23630026

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyNVWCZRPXYVDQEE-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.04
Rot. Bonds6

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

4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 23630026) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID23630026
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyNVWCZRPXYVDQEE-UHFFFAOYSA-N
XLogP3.04
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide (CID 23630026) is 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is NVWCZRPXYVDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23630026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).