N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide

C54H35F2N7O — CID 123613558

IUPACN-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide
SMILESCc1cccc2c(-c3ccc4cc(CNC(=O)c5cccc6nc(-c7c[nH]c8cc(-c9ccc%10c(-c%11ccc%12cccc(F)c%12n%11)c[nH]c%10c9)ccc78)ccc56)cc(F)c4n3)c[nH]c12
InChIInChI=1S/C54H35F2N7O/c1-29-5-2-7-38-42(28-59-51(29)38)48-19-14-34-21-30(22-44(56)53(34)63-48)25-60-54(64)39-8-4-10-45-35(39)17-20-46(61-45)40-26-57-49-23-32(11-15-36(40)49)33-12-16-37-41(27-58-50(37)24-33)47-18-13-31-6-3-9-43(55)52(31)62-47/h2-24,26-28,57-59H,25H2,1H3,(H,60,64)
InChIKeySQSOZMVJRAHSHY-UHFFFAOYSA-N
MW835.92 g/mol
LogP12.96
Rot. Bonds7

About N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide

N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide (PubChem CID 123613558) has the molecular formula C54H35F2N7O and a molecular weight of 835.92 g/mol. Its IUPAC name is N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide
PubChem CID123613558
Molecular FormulaC54H35F2N7O
Molecular Weight835.92 g/mol
Exact Mass835.29
IUPAC NameN-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide
SMILESCc1cccc2c(-c3ccc4cc(CNC(=O)c5cccc6nc(-c7c[nH]c8cc(-c9ccc%10c(-c%11ccc%12cccc(F)c%12n%11)c[nH]c%10c9)ccc78)ccc56)cc(F)c4n3)c[nH]c12
InChIInChI=1S/C54H35F2N7O/c1-29-5-2-7-38-42(28-59-51(29)38)48-19-14-34-21-30(22-44(56)53(34)63-48)25-60-54(64)39-8-4-10-45-35(39)17-20-46(61-45)40-26-57-49-23-32(11-15-36(40)49)33-12-16-37-41(27-58-50(37)24-33)47-18-13-31-6-3-9-43(55)52(31)62-47/h2-24,26-28,57-59H,25H2,1H3,(H,60,64)
InChIKeySQSOZMVJRAHSHY-UHFFFAOYSA-N
XLogP12.96
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.92
LogP ≤ 512.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide with MolForge

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Related Compounds

7-Pyridin-3-yl-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 5330677
7-Pyridin-4-yl-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 5330678
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3a
CID 5330719
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3d
CID 5330722
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h
CID 5330726
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3m
CID 5330731
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3o
CID 5330733
9-Ethyl-3-methyl-3H-indolo[6,7-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione
CID 5330736
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3ee
CID 5330749
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3hh
CID 5330752
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3jj
CID 5330754
Indolocarbazole deriv. 13b
CID 5330775

Frequently Asked Questions

What is the IUPAC name of N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide?
The IUPAC name of N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide (CID 123613558) is N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide.
What is the SMILES notation for N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide?
The canonical SMILES for N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide is Cc1cccc2c(-c3ccc4cc(CNC(=O)c5cccc6nc(-c7c[nH]c8cc(-c9ccc%10c(-c%11ccc%12cccc(F)c%12n%11)c[nH]c%10c9)ccc78)ccc56)cc(F)c4n3)c[nH]c12.
What is the InChIKey of N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide?
The InChIKey is SQSOZMVJRAHSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35F2N7O/c1-29-5-2-7-38-42(28-59-51(29)38)48-19-14-34-21-30(22-44(56)53(34)63-48)25-60-54(64)39-8-4-10-45-35(39)17-20-46(61-45)40-26-57-49-23-32(11-15-36(40)49)33-12-16-37-41(27-58-50(37)24-33)47-18-13-31-6-3-9-43(55)52(31)62-47/h2-24,26-28,57-59H,25H2,1H3,(H,60,64).
What are the key properties of N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide?
N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide has a molecular weight of 835.92 g/mol, XLogP of 12.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide is sourced from PubChem (CID 123613558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).