(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol

C17H19ClN2O3 — CID 73357073

IUPAC(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESCOc1cc2nc(/C=C/CO)cc(N3CCOCC3)c2cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-22-17-11-15-13(10-14(17)18)16(20-4-7-23-8-5-20)9-12(19-15)3-2-6-21/h2-3,9-11,21H,4-8H2,1H3/b3-2+
InChIKeyWOQPLHRCGFCINU-NSCUHMNNSA-N
MW334.80 g/mol
LogP2.74
Rot. Bonds4

About (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol

(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (PubChem CID 73357073) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
PubChem CID73357073
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESCOc1cc2nc(/C=C/CO)cc(N3CCOCC3)c2cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-22-17-11-15-13(10-14(17)18)16(20-4-7-23-8-5-20)9-12(19-15)3-2-6-21/h2-3,9-11,21H,4-8H2,1H3/b3-2+
InChIKeyWOQPLHRCGFCINU-NSCUHMNNSA-N
XLogP2.74
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol with MolForge

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Related Compounds

2-Chloro-7-methoxyquinoline-3-methanol
CID 828415
5-[2-[4-[(2,5-Dichlorophenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
CID 10238160
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate
CID 130267482
4-N-(2-chloro-6-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 48032
8-Chloro-1-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 2815160
N-(2-chloro-6-methoxyacridin-9-yl)-N',N'-dipropylpropane-1,3-diamine
CID 44416276
N-(2-chloro-6-methoxyacridin-9-yl)-N'-ethyl-N'-propylpropane-1,3-diamine
CID 44416328
6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]quinolin-4-amine
CID 162664031
US8765940, 6-chloro-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-methoxy-2,3-dimethylquinoline
CID 50940458
3,6-Bis(2-diethylaminoethoxy)-4,5-dichloroacridine
CID 20553463
6-chloro-7-methoxy-2,3-dimethyl-4-(3,3,7-trimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)quinoline
CID 50939994
1-(6-Chloro-7-methoxy-2,3-dimethyl-4-quinolinyl)-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-pyran]-6-carbonitrile
CID 67285125

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (CID 73357073) is (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is COc1cc2nc(/C=C/CO)cc(N3CCOCC3)c2cc1Cl.
What is the InChIKey of (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The InChIKey is WOQPLHRCGFCINU-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-17-11-15-13(10-14(17)18)16(20-4-7-23-8-5-20)9-12(19-15)3-2-6-21/h2-3,9-11,21H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol has a molecular weight of 334.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 73357073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).