[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C26H30ClN3O3 — CID 139379769

IUPAC[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCCN1CC(c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2Cl)Cc2ccccc21
InChIInChI=1S/C26H30ClN3O3/c1-2-28-17-20(15-18-5-3-4-6-23(18)28)21-8-7-19(16-22(21)27)24(31)29-11-13-30(14-12-29)25(32)26(33)9-10-26/h3-8,16,20,33H,2,9-15,17H2,1H3
InChIKeyCWXAOAILQHAAGR-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.32
Rot. Bonds4

About [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 139379769) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID139379769
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCCN1CC(c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2Cl)Cc2ccccc21
InChIInChI=1S/C26H30ClN3O3/c1-2-28-17-20(15-18-5-3-4-6-23(18)28)21-8-7-19(16-22(21)27)24(31)29-11-13-30(14-12-29)25(32)26(33)9-10-26/h3-8,16,20,33H,2,9-15,17H2,1H3
InChIKeyCWXAOAILQHAAGR-UHFFFAOYSA-N
XLogP3.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-chloro-4-naphthalen-2-ylphenyl)-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 134273918
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[3-chloro-4-[1-(trifluoromethyl)indol-5-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621523
[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621876
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621871
[3-chloro-4-(1-methyl-4H-inden-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 163992153
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-hydroxy-1-methyl-2,3-dihydroindazol-6-yl)phenyl]methanone
CID 118639650
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[4-(7-fluoro-2,3-dihydroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621534
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
CID 174458357

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 139379769) is [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is CCN1CC(c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2Cl)Cc2ccccc21.
What is the InChIKey of [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is CWXAOAILQHAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-2-28-17-20(15-18-5-3-4-6-23(18)28)21-8-7-19(16-22(21)27)24(31)29-11-13-30(14-12-29)25(32)26(33)9-10-26/h3-8,16,20,33H,2,9-15,17H2,1H3.
What are the key properties of [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 468.00 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 139379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).