N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide

C20H16BrFN4O — CID 18729776

IUPACN-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide
SMILESNCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12
InChIInChI=1S/C20H16BrFN4O/c21-11-4-5-17-13(8-11)15(10-25-17)18-9-14(20(27)24-7-6-23)12-2-1-3-16(22)19(12)26-18/h1-5,8-10,25H,6-7,23H2,(H,24,27)
InChIKeyFTZDRXLYCDSWCR-UHFFFAOYSA-N
MW427.28 g/mol
LogP3.97
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide

N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide (PubChem CID 18729776) has the molecular formula C20H16BrFN4O and a molecular weight of 427.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide
PubChem CID18729776
Molecular FormulaC20H16BrFN4O
Molecular Weight427.28 g/mol
Exact Mass426.05
IUPAC NameN-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide
SMILESNCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12
InChIInChI=1S/C20H16BrFN4O/c21-11-4-5-17-13(8-11)15(10-25-17)18-9-14(20(27)24-7-6-23)12-2-1-3-16(22)19(12)26-18/h1-5,8-10,25H,6-7,23H2,(H,24,27)
InChIKeyFTZDRXLYCDSWCR-UHFFFAOYSA-N
XLogP3.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide
CID 59950814
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729975
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxamide
CID 18729915
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide
CID 18729770
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(3,6-dihydro-2H-pyridin-1-yl)prop-1-ynyl]quinoline-4-carboxamide
CID 18729768
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-[3-(2-phenylethylamino)prop-1-ynyl]quinoline-4-carboxamide
CID 18729899
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-iodoquinoline-4-carboxamide
CID 18729865

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide (CID 18729776) is N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide is NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12.
What is the InChIKey of N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide?
The InChIKey is FTZDRXLYCDSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN4O/c21-11-4-5-17-13(8-11)15(10-25-17)18-9-14(20(27)24-7-6-23)12-2-1-3-16(22)19(12)26-18/h1-5,8-10,25H,6-7,23H2,(H,24,27).
What are the key properties of N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide?
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide has a molecular weight of 427.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide is sourced from PubChem (CID 18729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).