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

C25H23ClN6O2S — CID 51038589

IUPACN-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
SMILESClc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cccc1OCCN1CCOCC1
InChIInChI=1S/C25H23ClN6O2S/c26-22-20(5-2-6-21(22)34-12-9-32-7-10-33-11-8-32)29-25-19-14-35-13-18(19)16-3-1-4-17(23(16)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31)
InChIKeyNPUZUZAOXSRCRB-UHFFFAOYSA-N
MW507.02 g/mol
LogP5.34
Rot. Bonds7

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

N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine (PubChem CID 51038589) has the molecular formula C25H23ClN6O2S and a molecular weight of 507.02 g/mol. Its IUPAC name is N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
PubChem CID51038589
Molecular FormulaC25H23ClN6O2S
Molecular Weight507.02 g/mol
Exact Mass506.13
IUPAC NameN-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
SMILESClc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cccc1OCCN1CCOCC1
InChIInChI=1S/C25H23ClN6O2S/c26-22-20(5-2-6-21(22)34-12-9-32-7-10-33-11-8-32)29-25-19-14-35-13-18(19)16-3-1-4-17(23(16)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31)
InChIKeyNPUZUZAOXSRCRB-UHFFFAOYSA-N
XLogP5.34
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.02
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
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-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
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
2-acetamido-N-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 92550749
2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)-8-(3-morpholin-4-ylpropoxy)quinazoline-2,4-diamine
CID 67864600
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
8-(2-morpholin-4-ylethoxy)-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239586

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The IUPAC name of 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) is N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The canonical SMILES for N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine is Clc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cccc1OCCN1CCOCC1.
What is the InChIKey of N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The InChIKey is NPUZUZAOXSRCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2S/c26-22-20(5-2-6-21(22)34-12-9-32-7-10-33-11-8-32)29-25-19-14-35-13-18(19)16-3-1-4-17(23(16)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31).
What are the key properties of N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine has a molecular weight of 507.02 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine is sourced from PubChem (CID 51038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).