4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide

C21H22N4O2 — CID 71061066

IUPAC4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide
SMILESCCN(c1c(C(N)=O)nnc2cc(-c3ccccc3OC)ccc12)C1CC1
InChIInChI=1S/C21H22N4O2/c1-3-25(14-9-10-14)20-16-11-8-13(15-6-4-5-7-18(15)27-2)12-17(16)23-24-19(20)21(22)26/h4-8,11-12,14H,3,9-10H2,1-2H3,(H2,22,26)
InChIKeyGLSVCQACNLRUAY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.39
Rot. Bonds6

About 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide

4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide (PubChem CID 71061066) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide
PubChem CID71061066
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide
SMILESCCN(c1c(C(N)=O)nnc2cc(-c3ccccc3OC)ccc12)C1CC1
InChIInChI=1S/C21H22N4O2/c1-3-25(14-9-10-14)20-16-11-8-13(15-6-4-5-7-18(15)27-2)12-17(16)23-24-19(20)21(22)26/h4-8,11-12,14H,3,9-10H2,1-2H3,(H2,22,26)
InChIKeyGLSVCQACNLRUAY-UHFFFAOYSA-N
XLogP3.39
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide (CID 71061066) is 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide is CCN(c1c(C(N)=O)nnc2cc(-c3ccccc3OC)ccc12)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide?
The InChIKey is GLSVCQACNLRUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(14-9-10-14)20-16-11-8-13(15-6-4-5-7-18(15)27-2)12-17(16)23-24-19(20)21(22)26/h4-8,11-12,14H,3,9-10H2,1-2H3,(H2,22,26).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide?
4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 71061066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).