(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine

C30H31ClFN3 — CID 156718065

IUPAC(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine
SMILESC/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(Cl)c2ncccc2c1
InChIInChI=1S/C30H31ClFN3/c1-5-19(3)26-18-25(35-29(20(26)4)21-9-11-24(32)12-10-21)13-15-33-28(6-2)23-16-22-8-7-14-34-30(22)27(31)17-23/h6-12,14,16-19,33H,5,13,15H2,1-4H3/b28-6-
InChIKeyDHYKAHAEYIMFJP-IULVPYHESA-N
MW488.05 g/mol
LogP8.10
Rot. Bonds8

About (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine

(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine (PubChem CID 156718065) has the molecular formula C30H31ClFN3 and a molecular weight of 488.05 g/mol. Its IUPAC name is (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine
PubChem CID156718065
Molecular FormulaC30H31ClFN3
Molecular Weight488.05 g/mol
Exact Mass487.22
IUPAC Name(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine
SMILESC/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(Cl)c2ncccc2c1
InChIInChI=1S/C30H31ClFN3/c1-5-19(3)26-18-25(35-29(20(26)4)21-9-11-24(32)12-10-21)13-15-33-28(6-2)23-16-22-8-7-14-34-30(22)27(31)17-23/h6-12,14,16-19,33H,5,13,15H2,1-4H3/b28-6-
InChIKeyDHYKAHAEYIMFJP-IULVPYHESA-N
XLogP8.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.05
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine with MolForge

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Related Compounds

4-Quinolinamine, 7-chloro-N-[3-[[(1,1-dimethylethyl)amino]methyl]-4-fluorophenyl]-
CID 9820134
8-Chloro-4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 17758358
8-Chloro-4-(3-chloro-4-fluorophenylamino)-6-((6-methylpyridin-2-yl)methylamino)quinoline-3-carbonitrile
CID 17759786
(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine
CID 434361
6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (12c)
CID 122199188
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloro-quinolin-4-amine
CID 44819633
7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819803
7-chloro-N-[[2-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819808
Flourotebuquine
CID 9982057
7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine
CID 10624122

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine (CID 156718065) is (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine is C/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(Cl)c2ncccc2c1.
What is the InChIKey of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine?
The InChIKey is DHYKAHAEYIMFJP-IULVPYHESA-N. The full InChI is InChI=1S/C30H31ClFN3/c1-5-19(3)26-18-25(35-29(20(26)4)21-9-11-24(32)12-10-21)13-15-33-28(6-2)23-16-22-8-7-14-34-30(22)27(31)17-23/h6-12,14,16-19,33H,5,13,15H2,1-4H3/b28-6-.
What are the key properties of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine?
(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine has a molecular weight of 488.05 g/mol, XLogP of 8.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-chloroquinolin-6-yl)prop-1-en-1-amine is sourced from PubChem (CID 156718065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).