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

C21H24N4O3 — CID 23629661

IUPAC4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
SMILESCCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26)
InChIKeyRINRTVBSMKHYQY-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.43
Rot. Bonds7

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

4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide (PubChem CID 23629661) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
PubChem CID23629661
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
SMILESCCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26)
InChIKeyRINRTVBSMKHYQY-UHFFFAOYSA-N
XLogP3.43
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629695
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide
CID 143493536
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide (CID 23629661) is 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide is CCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide?
The InChIKey is RINRTVBSMKHYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide?
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 23629661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).