7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one

C19H16ClNO3 — CID 54711211

IUPAC7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCC2CC2)c1
InChIInChI=1S/C19H16ClNO3/c20-13-6-7-15-16(9-13)21-19(23)17(18(15)22)12-2-1-3-14(8-12)24-10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H2,21,22,23)
InChIKeyVVAMSCKYBZUNOB-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.34
Rot. Bonds4

About 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one

7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 54711211) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID54711211
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCC2CC2)c1
InChIInChI=1S/C19H16ClNO3/c20-13-6-7-15-16(9-13)21-19(23)17(18(15)22)12-2-1-3-14(8-12)24-10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H2,21,22,23)
InChIKeyVVAMSCKYBZUNOB-UHFFFAOYSA-N
XLogP4.34
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one (CID 54711211) is 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCC2CC2)c1.
What is the InChIKey of 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is VVAMSCKYBZUNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-13-6-7-15-16(9-13)21-19(23)17(18(15)22)12-2-1-3-14(8-12)24-10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H2,21,22,23).
What are the key properties of 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 341.79 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54711211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).