7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one

C18H23ClN2O2 — CID 95197872

IUPAC7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCC[C@@H](O)C1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1
InChIInChI=1S/C18H23ClN2O2/c1-2-17(22)12-5-7-21(8-6-12)11-14-9-13-3-4-15(19)10-16(13)20-18(14)23/h3-4,9-10,12,17,22H,2,5-8,11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyDTLLZKZQCUBXNA-QGZVFWFLSA-N
MW334.85 g/mol
LogP3.16
Rot. Bonds4

About 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one

7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95197872) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95197872
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCC[C@@H](O)C1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1
InChIInChI=1S/C18H23ClN2O2/c1-2-17(22)12-5-7-21(8-6-12)11-14-9-13-3-4-15(19)10-16(13)20-18(14)23/h3-4,9-10,12,17,22H,2,5-8,11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyDTLLZKZQCUBXNA-QGZVFWFLSA-N
XLogP3.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 95197872) is 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one is CC[C@@H](O)C1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1.
What is the InChIKey of 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is DTLLZKZQCUBXNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-2-17(22)12-5-7-21(8-6-12)11-14-9-13-3-4-15(19)10-16(13)20-18(14)23/h3-4,9-10,12,17,22H,2,5-8,11H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 334.85 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95197872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).