4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide

C20H21FN4O3 — CID 54587229

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1
InChIInChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)
InChIKeyMVMSIAOIXGSGIK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.17
Rot. Bonds5

About 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide

4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide (PubChem CID 54587229) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide
PubChem CID54587229
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1
InChIInChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)
InChIKeyMVMSIAOIXGSGIK-UHFFFAOYSA-N
XLogP3.17
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.17
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)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide (CID 54587229) is 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide is COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide?
The InChIKey is MVMSIAOIXGSGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.17, 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)-7-fluoro-N-propan-2-ylcinnoline-3-carboxamide is sourced from PubChem (CID 54587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).