1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine

C25H20ClFN4 — CID 126539844

IUPAC1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine
SMILESFc1cc2[nH]ccc2cc1CNCc1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H20ClFN4/c26-21-11-19-7-16(1-2-24(19)31-15-21)8-22-9-17(3-5-29-22)13-28-14-20-10-18-4-6-30-25(18)12-23(20)27/h1-7,9-12,15,28,30H,8,13-14H2
InChIKeyFCTXUOHDABNREW-UHFFFAOYSA-N
MW430.91 g/mol
LogP5.78
Rot. Bonds6

About 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine

1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine (PubChem CID 126539844) has the molecular formula C25H20ClFN4 and a molecular weight of 430.91 g/mol. Its IUPAC name is 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine
PubChem CID126539844
Molecular FormulaC25H20ClFN4
Molecular Weight430.91 g/mol
Exact Mass430.14
IUPAC Name1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine
SMILESFc1cc2[nH]ccc2cc1CNCc1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H20ClFN4/c26-21-11-19-7-16(1-2-24(19)31-15-21)8-22-9-17(3-5-29-22)13-28-14-20-10-18-4-6-30-25(18)12-23(20)27/h1-7,9-12,15,28,30H,8,13-14H2
InChIKeyFCTXUOHDABNREW-UHFFFAOYSA-N
XLogP5.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.91
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine (CID 126539844) is 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine is Fc1cc2[nH]ccc2cc1CNCc1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine?
The InChIKey is FCTXUOHDABNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4/c26-21-11-19-7-16(1-2-24(19)31-15-21)8-22-9-17(3-5-29-22)13-28-14-20-10-18-4-6-30-25(18)12-23(20)27/h1-7,9-12,15,28,30H,8,13-14H2.
What are the key properties of 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine?
1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine has a molecular weight of 430.91 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine is sourced from PubChem (CID 126539844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).