4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide

C21H26N4O3 — CID 143493536

IUPAC4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide
SMILESCCCCNC(=O)C1=C(N)c2cccc(-c3cc(OC)ccc3OC)c2NN1
InChIInChI=1S/C21H26N4O3/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/h6-10,12,24-25H,4-5,11,22H2,1-3H3,(H,23,26)
InChIKeyFFZUSDVQIIFHSH-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.84
Rot. Bonds7

About 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide

4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide (PubChem CID 143493536) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide
PubChem CID143493536
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide
SMILESCCCCNC(=O)C1=C(N)c2cccc(-c3cc(OC)ccc3OC)c2NN1
InChIInChI=1S/C21H26N4O3/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/h6-10,12,24-25H,4-5,11,22H2,1-3H3,(H,23,26)
InChIKeyFFZUSDVQIIFHSH-UHFFFAOYSA-N
XLogP2.84
TPSA97.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide (CID 143493536) is 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide is CCCCNC(=O)C1=C(N)c2cccc(-c3cc(OC)ccc3OC)c2NN1.
What is the InChIKey of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide?
The InChIKey is FFZUSDVQIIFHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/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/h6-10,12,24-25H,4-5,11,22H2,1-3H3,(H,23,26).
What are the key properties of 4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide?
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 4 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)-1,2-dihydrocinnoline-3-carboxamide is sourced from PubChem (CID 143493536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).