4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide

C19H18N6O — CID 71765297

IUPAC4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide
SMILESCCn1cnc2ccc(-c3c(C)ccc4c(N)c(C(N)=O)nnc34)cc21
InChIInChI=1S/C19H18N6O/c1-3-25-9-22-13-7-5-11(8-14(13)25)15-10(2)4-6-12-16(20)18(19(21)26)24-23-17(12)15/h4-9H,3H2,1-2H3,(H2,20,23)(H2,21,26)
InChIKeyILLANQTUZDHDHO-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.66
Rot. Bonds3

About 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide

4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide (PubChem CID 71765297) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide
PubChem CID71765297
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide
SMILESCCn1cnc2ccc(-c3c(C)ccc4c(N)c(C(N)=O)nnc34)cc21
InChIInChI=1S/C19H18N6O/c1-3-25-9-22-13-7-5-11(8-14(13)25)15-10(2)4-6-12-16(20)18(19(21)26)24-23-17(12)15/h4-9H,3H2,1-2H3,(H2,20,23)(H2,21,26)
InChIKeyILLANQTUZDHDHO-UHFFFAOYSA-N
XLogP2.66
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide (CID 71765297) is 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide is CCn1cnc2ccc(-c3c(C)ccc4c(N)c(C(N)=O)nnc34)cc21.
What is the InChIKey of 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide?
The InChIKey is ILLANQTUZDHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-3-25-9-22-13-7-5-11(8-14(13)25)15-10(2)4-6-12-16(20)18(19(21)26)24-23-17(12)15/h4-9H,3H2,1-2H3,(H2,20,23)(H2,21,26).
What are the key properties of 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide?
4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide is sourced from PubChem (CID 71765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).