4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide

C19H18F2N4O2 — CID 174558161

IUPAC4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccc(F)c(OC)c3)c(F)ccc2c1N
InChIInChI=1S/C19H18F2N4O2/c1-3-8-23-19(26)18-16(22)11-5-7-13(21)15(17(11)24-25-18)10-4-6-12(20)14(9-10)27-2/h4-7,9H,3,8H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyKGJBVQYPEZDKFD-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.31
Rot. Bonds5

About 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide

4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 174558161) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID174558161
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccc(F)c(OC)c3)c(F)ccc2c1N
InChIInChI=1S/C19H18F2N4O2/c1-3-8-23-19(26)18-16(22)11-5-7-13(21)15(17(11)24-25-18)10-4-6-12(20)14(9-10)27-2/h4-7,9H,3,8H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyKGJBVQYPEZDKFD-UHFFFAOYSA-N
XLogP3.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
CID 174557820
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-8-[4-ethoxy-2-(trifluoromethyl)phenyl]-7-fluoro-N-propylcinnoline-3-carboxamide
CID 143493546
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
CID 58899646
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629661

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide (CID 174558161) is 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ccc(F)c(OC)c3)c(F)ccc2c1N.
What is the InChIKey of 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is KGJBVQYPEZDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-3-8-23-19(26)18-16(22)11-5-7-13(21)15(17(11)24-25-18)10-4-6-12(20)14(9-10)27-2/h4-7,9H,3,8H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 174558161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).