4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide

C20H22N4O3 — CID 54587226

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1
InChIInChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25)
InChIKeyYTPPBAYYHIGVLQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.03
Rot. Bonds5

About 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide

4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide (PubChem CID 54587226) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide
PubChem CID54587226
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1
InChIInChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25)
InChIKeyYTPPBAYYHIGVLQ-UHFFFAOYSA-N
XLogP3.03
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide (CID 54587226) is 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide is COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide?
The InChIKey is YTPPBAYYHIGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,5-dimethoxyphenyl)-N-propan-2-ylcinnoline-3-carboxamide is sourced from PubChem (CID 54587226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).