4-amino-8-bromo-N-propylcinnoline-3-carboxamide

C12H13BrN4O — CID 14012326

IUPAC4-amino-8-bromo-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/C12H13BrN4O/c1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyGPJGJCJYUOVPPW-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.11
Rot. Bonds3

About 4-amino-8-bromo-N-propylcinnoline-3-carboxamide

4-amino-8-bromo-N-propylcinnoline-3-carboxamide (PubChem CID 14012326) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-amino-8-bromo-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-N-propylcinnoline-3-carboxamide
PubChem CID14012326
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-amino-8-bromo-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/C12H13BrN4O/c1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyGPJGJCJYUOVPPW-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-methylcinnoline-3-carboxamide
CID 67228769
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-N-propyl-8-pyrazin-2-ylcinnoline-3-carboxamide
CID 25132066
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629661
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-bromo-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-N-propylcinnoline-3-carboxamide (CID 14012326) is 4-amino-8-bromo-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(Br)cccc2c1N.
What is the InChIKey of 4-amino-8-bromo-N-propylcinnoline-3-carboxamide?
The InChIKey is GPJGJCJYUOVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 4-amino-8-bromo-N-propylcinnoline-3-carboxamide?
4-amino-8-bromo-N-propylcinnoline-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-bromo-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 14012326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).