2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride

C23H23Cl2N5O3 — CID 135416047

IUPAC2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc2[nH]c(O)c(-c3ncnc4cc(OCCN5CCOCC5)ccc34)c2c1
InChIInChI=1S/C23H21N5O3.2ClH/c24-13-15-1-4-19-18(11-15)21(23(29)27-19)22-17-3-2-16(12-20(17)25-14-26-22)31-10-7-28-5-8-30-9-6-28;;/h1-4,11-12,14,27,29H,5-10H2;2*1H
InChIKeyYAUJPUUFWPTNDS-UHFFFAOYSA-N
MW488.38 g/mol
LogP3.91
Rot. Bonds5

About 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride

2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride (PubChem CID 135416047) has the molecular formula C23H23Cl2N5O3 and a molecular weight of 488.38 g/mol. Its IUPAC name is 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride
PubChem CID135416047
Molecular FormulaC23H23Cl2N5O3
Molecular Weight488.38 g/mol
Exact Mass487.12
IUPAC Name2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc2[nH]c(O)c(-c3ncnc4cc(OCCN5CCOCC5)ccc34)c2c1
InChIInChI=1S/C23H21N5O3.2ClH/c24-13-15-1-4-19-18(11-15)21(23(29)27-19)22-17-3-2-16(12-20(17)25-14-26-22)31-10-7-28-5-8-30-9-6-28;;/h1-4,11-12,14,27,29H,5-10H2;2*1H
InChIKeyYAUJPUUFWPTNDS-UHFFFAOYSA-N
XLogP3.91
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
4-[3-[4-(1-hydroxyindol-3-yl)quinazolin-7-yl]oxypropyl]morpholine
CID 139836432
ethane;3-[6-(2-morpholin-4-ylethoxy)quinolin-2-yl]-1H-indol-2-ol
CID 136659087
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
3-[6-[2-(azepan-1-yl)ethoxy]naphthalen-2-yl]-1H-indazole-5-carbonitrile
CID 68907889
5-fluoro-3-[(3E)-5-fluoro-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
CID 142752483
N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10227162
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
CID 141103822
(3E)-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-3-(2-morpholin-4-ylethoxyimino)indol-5-ol;hydrochloride
CID 162664087
7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol
CID 91037891

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride?
The IUPAC name of 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride (CID 135416047) is 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride.
What is the SMILES notation for 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride?
The canonical SMILES for 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1ccc2[nH]c(O)c(-c3ncnc4cc(OCCN5CCOCC5)ccc34)c2c1.
What is the InChIKey of 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride?
The InChIKey is YAUJPUUFWPTNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.2ClH/c24-13-15-1-4-19-18(11-15)21(23(29)27-19)22-17-3-2-16(12-20(17)25-14-26-22)31-10-7-28-5-8-30-9-6-28;;/h1-4,11-12,14,27,29H,5-10H2;2*1H.
What are the key properties of 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride?
2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride has a molecular weight of 488.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1H-indole-5-carbonitrile;dihydrochloride is sourced from PubChem (CID 135416047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).