4-amino-6-chloro-N-propylcinnoline-3-carboxamide

C12H13ClN4O — CID 14012335

IUPAC4-amino-6-chloro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2ccc(Cl)cc2c1N
InChIInChI=1S/C12H13ClN4O/c1-2-5-15-12(18)11-10(14)8-6-7(13)3-4-9(8)16-17-11/h3-4,6H,2,5H2,1H3,(H2,14,16)(H,15,18)
InChIKeyVNYZCASPDNDUNW-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-6-chloro-N-propylcinnoline-3-carboxamide

4-amino-6-chloro-N-propylcinnoline-3-carboxamide (PubChem CID 14012335) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-6-chloro-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-chloro-N-propylcinnoline-3-carboxamide
PubChem CID14012335
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-6-chloro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2ccc(Cl)cc2c1N
InChIInChI=1S/C12H13ClN4O/c1-2-5-15-12(18)11-10(14)8-6-7(13)3-4-9(8)16-17-11/h3-4,6H,2,5H2,1H3,(H2,14,16)(H,15,18)
InChIKeyVNYZCASPDNDUNW-UHFFFAOYSA-N
XLogP2.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.01
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-propylcinnoline-3-carboxamide
CID 14012326
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
4-amino-8-[4-ethoxy-2-(trifluoromethyl)phenyl]-7-fluoro-N-propylcinnoline-3-carboxamide
CID 143493546
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-6-chloro-N-propylcinnoline-3-carboxamide (CID 14012335) is 4-amino-6-chloro-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-6-chloro-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-6-chloro-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2ccc(Cl)cc2c1N.
What is the InChIKey of 4-amino-6-chloro-N-propylcinnoline-3-carboxamide?
The InChIKey is VNYZCASPDNDUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-5-15-12(18)11-10(14)8-6-7(13)3-4-9(8)16-17-11/h3-4,6H,2,5H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 4-amino-6-chloro-N-propylcinnoline-3-carboxamide?
4-amino-6-chloro-N-propylcinnoline-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 14012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).