(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone

C19H20ClNO2 — CID 110636341

IUPAC(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3
InChIKeyUIYOLJVDEDDWBK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.55
Rot. Bonds2

About (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 110636341) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID110636341
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3
InChIKeyUIYOLJVDEDDWBK-UHFFFAOYSA-N
XLogP4.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 12919525
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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 110636341) is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is UIYOLJVDEDDWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3.
What are the key properties of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 329.83 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110636341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).