N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine

C26H25ClN6OS — CID 58189554

IUPACN-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine
SMILESClc1cc(OCCN2CCCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2ccsc12
InChIInChI=1S/C26H25ClN6OS/c27-21-15-17(34-13-12-33-10-2-1-3-11-33)7-8-22(21)30-26-24-19(9-14-35-24)18-5-4-6-20(23(18)31-26)25-28-16-29-32-25/h4-9,14-16H,1-3,10-13H2,(H,30,31)(H,28,29,32)
InChIKeyUREUEOUFSBTSLN-UHFFFAOYSA-N
MW505.05 g/mol
LogP6.50
Rot. Bonds7

About N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine

N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine (PubChem CID 58189554) has the molecular formula C26H25ClN6OS and a molecular weight of 505.05 g/mol. Its IUPAC name is N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine
PubChem CID58189554
Molecular FormulaC26H25ClN6OS
Molecular Weight505.05 g/mol
Exact Mass504.15
IUPAC NameN-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine
SMILESClc1cc(OCCN2CCCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2ccsc12
InChIInChI=1S/C26H25ClN6OS/c27-21-15-17(34-13-12-33-10-2-1-3-11-33)7-8-22(21)30-26-24-19(9-14-35-24)18-5-4-6-20(23(18)31-26)25-28-16-29-32-25/h4-9,14-16H,1-3,10-13H2,(H,30,31)(H,28,29,32)
InChIKeyUREUEOUFSBTSLN-UHFFFAOYSA-N
XLogP6.50
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.05
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 161231637
N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
CID 51038589
N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 91308444
N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 51036453
3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789037
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
CID 137304471
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
5-chloro-4-N-[2-(methylsulfanylamino)phenyl]-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 143861932

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine?
The IUPAC name of N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine (CID 58189554) is N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine.
What is the SMILES notation for N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine?
The canonical SMILES for N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine is Clc1cc(OCCN2CCCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2ccsc12.
What is the InChIKey of N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine?
The InChIKey is UREUEOUFSBTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6OS/c27-21-15-17(34-13-12-33-10-2-1-3-11-33)7-8-22(21)30-26-24-19(9-14-35-24)18-5-4-6-20(23(18)31-26)25-28-16-29-32-25/h4-9,14-16H,1-3,10-13H2,(H,30,31)(H,28,29,32).
What are the key properties of N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine?
N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine has a molecular weight of 505.05 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine is sourced from PubChem (CID 58189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).