4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide

C16H12N4O3 — CID 59791574

IUPAC4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4c(c3)OCO4)cccc2c1N
InChIInChI=1S/C16H12N4O3/c17-13-10-3-1-2-9(14(10)19-20-15(13)16(18)21)8-4-5-11-12(6-8)23-7-22-11/h1-6H,7H2,(H2,17,19)(H2,18,21)
InChIKeyBQYGRAHGWRUYHO-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.71
Rot. Bonds2

About 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide

4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide (PubChem CID 59791574) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
PubChem CID59791574
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4c(c3)OCO4)cccc2c1N
InChIInChI=1S/C16H12N4O3/c17-13-10-3-1-2-9(14(10)19-20-15(13)16(18)21)8-4-5-11-12(6-8)23-7-22-11/h1-6H,7H2,(H2,17,19)(H2,18,21)
InChIKeyBQYGRAHGWRUYHO-UHFFFAOYSA-N
XLogP1.71
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-8-(2-anilino-3H-benzimidazol-5-yl)cinnoline-3-carboxamide
CID 71765222
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847383
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805786
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
2-(1,3-benzodioxol-5-yl)benzenediazonium
CID 134879950
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3,5-difluoropyridine-2-carboxylate
CID 22677492
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
3-amino-2-(1,3-benzodioxol-5-yl)chromen-4-one
CID 86100284

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide (CID 59791574) is 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide is NC(=O)c1nnc2c(-c3ccc4c(c3)OCO4)cccc2c1N.
What is the InChIKey of 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide?
The InChIKey is BQYGRAHGWRUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-13-10-3-1-2-9(14(10)19-20-15(13)16(18)21)8-4-5-11-12(6-8)23-7-22-11/h1-6H,7H2,(H2,17,19)(H2,18,21).
What are the key properties of 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide?
4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 59791574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).