4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide

C20H18FN5O — CID 69327675

IUPAC4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3c[nH]c4ccccc34)c(F)ccc2c1N
InChIInChI=1S/C20H18FN5O/c1-2-9-23-20(27)19-17(22)12-7-8-14(21)16(18(12)25-26-19)13-10-24-15-6-4-3-5-11(13)15/h3-8,10,24H,2,9H2,1H3,(H2,22,25)(H,23,27)
InChIKeyRLKIJZXEIBFRKD-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.64
Rot. Bonds4

About 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide

4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide (PubChem CID 69327675) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
PubChem CID69327675
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3c[nH]c4ccccc34)c(F)ccc2c1N
InChIInChI=1S/C20H18FN5O/c1-2-9-23-20(27)19-17(22)12-7-8-14(21)16(18(12)25-26-19)13-10-24-15-6-4-3-5-11(13)15/h3-8,10,24H,2,9H2,1H3,(H2,22,25)(H,23,27)
InChIKeyRLKIJZXEIBFRKD-UHFFFAOYSA-N
XLogP3.64
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
4-amino-8-[4-ethoxy-2-(trifluoromethyl)phenyl]-7-fluoro-N-propylcinnoline-3-carboxamide
CID 143493546
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2977128
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide (CID 69327675) is 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3c[nH]c4ccccc34)c(F)ccc2c1N.
What is the InChIKey of 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide?
The InChIKey is RLKIJZXEIBFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-2-9-23-20(27)19-17(22)12-7-8-14(21)16(18(12)25-26-19)13-10-24-15-6-4-3-5-11(13)15/h3-8,10,24H,2,9H2,1H3,(H2,22,25)(H,23,27).
What are the key properties of 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide?
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 69327675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).