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

C24H26Br2N8O2 — CID 68792370

IUPAC4-amino-8-bromo-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)cccc2c1N.CCCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/2C12H13BrN4O/c2*1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h2*3-5H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAJMFLWDNIRZZEW-UHFFFAOYSA-N
MW618.33 g/mol
LogP4.23
Rot. Bonds6

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

4-amino-8-bromo-N-propylcinnoline-3-carboxamide (PubChem CID 68792370) has the molecular formula C24H26Br2N8O2 and a molecular weight of 618.33 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 CID68792370
Molecular FormulaC24H26Br2N8O2
Molecular Weight618.33 g/mol
Exact Mass616.05
IUPAC Name4-amino-8-bromo-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)cccc2c1N.CCCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/2C12H13BrN4O/c2*1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h2*3-5H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAJMFLWDNIRZZEW-UHFFFAOYSA-N
XLogP4.23
TPSA161.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.33
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
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 68792370) 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.CCCNC(=O)c1nnc2c(Br)cccc2c1N.
What is the InChIKey of 4-amino-8-bromo-N-propylcinnoline-3-carboxamide?
The InChIKey is AJMFLWDNIRZZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13BrN4O/c2*1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h2*3-5H,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 618.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 4 hydrogen bond donors, and 8 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 68792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).