4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide

C18H16Cl2N4O — CID 91536361

IUPAC4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cc(Cl)ccc3Cl)cccc2c1N
InChIInChI=1S/C18H16Cl2N4O/c19-12-7-8-14(20)11(9-12)5-1-3-10-4-2-6-13-15(21)17(18(22)25)24-23-16(10)13/h2,4,6-9H,1,3,5H2,(H2,21,23)(H2,22,25)
InChIKeyBVRQBEFYXLPHPJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide

4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide (PubChem CID 91536361) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
PubChem CID91536361
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cc(Cl)ccc3Cl)cccc2c1N
InChIInChI=1S/C18H16Cl2N4O/c19-12-7-8-14(20)11(9-12)5-1-3-10-4-2-6-13-15(21)17(18(22)25)24-23-16(10)13/h2,4,6-9H,1,3,5H2,(H2,21,23)(H2,22,25)
InChIKeyBVRQBEFYXLPHPJ-UHFFFAOYSA-N
XLogP3.79
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
CID 59791624
4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid
CID 14012297
3-(2,5-dichlorophenyl)propanethioamide
CID 83931369
4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
CID 59791574
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
CID 14012355
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
4-(4-amino-8-ethylquinolin-3-yl)butanamide
CID 57209473
6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
CID 173090749
(2,5-dichlorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80695067
4-amino-8-bromo-N-methylcinnoline-3-carboxamide
CID 67228769

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide (CID 91536361) is 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide is NC(=O)c1nnc2c(CCCc3cc(Cl)ccc3Cl)cccc2c1N.
What is the InChIKey of 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide?
The InChIKey is BVRQBEFYXLPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-12-7-8-14(20)11(9-12)5-1-3-10-4-2-6-13-15(21)17(18(22)25)24-23-16(10)13/h2,4,6-9H,1,3,5H2,(H2,21,23)(H2,22,25).
What are the key properties of 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide?
4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide is sourced from PubChem (CID 91536361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).