4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide

C22H24N4O4 — CID 25183553

IUPAC4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-16-11-10-14(20(29-2)21(16)30-3)13-8-5-9-15-17(23)19(26-25-18(13)15)22(27)24-12-6-4-7-12/h5,8-12H,4,6-7H2,1-3H3,(H2,23,25)(H,24,27)
InChIKeyGPCDJZRFYYEABZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.19
Rot. Bonds6

About 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide

4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide (PubChem CID 25183553) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
PubChem CID25183553
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-16-11-10-14(20(29-2)21(16)30-3)13-8-5-9-15-17(23)19(26-25-18(13)15)22(27)24-12-6-4-7-12/h5,8-12H,4,6-7H2,1-3H3,(H2,23,25)(H,24,27)
InChIKeyGPCDJZRFYYEABZ-UHFFFAOYSA-N
XLogP3.19
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide (CID 25183553) is 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide is COc1ccc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)c1OC.
What is the InChIKey of 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide?
The InChIKey is GPCDJZRFYYEABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-28-16-11-10-14(20(29-2)21(16)30-3)13-8-5-9-15-17(23)19(26-25-18(13)15)22(27)24-12-6-4-7-12/h5,8-12H,4,6-7H2,1-3H3,(H2,23,25)(H,24,27).
What are the key properties of 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide?
4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 25183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).