(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol

C19H16ClNO2 — CID 73349482

IUPAC(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESCOc1ccc(-c2cc(/C=C/CO)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H16ClNO2/c1-23-16-7-4-13(5-8-16)17-12-15(3-2-10-22)21-19-9-6-14(20)11-18(17)19/h2-9,11-12,22H,10H2,1H3/b3-2+
InChIKeyNWTAXILPFBSIFX-NSCUHMNNSA-N
MW325.80 g/mol
LogP4.57
Rot. Bonds4

About (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol

(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol (PubChem CID 73349482) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol
PubChem CID73349482
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESCOc1ccc(-c2cc(/C=C/CO)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H16ClNO2/c1-23-16-7-4-13(5-8-16)17-12-15(3-2-10-22)21-19-9-6-14(20)11-18(17)19/h2-9,11-12,22H,10H2,1H3/b3-2+
InChIKeyNWTAXILPFBSIFX-NSCUHMNNSA-N
XLogP4.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol (CID 73349482) is (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol is COc1ccc(-c2cc(/C=C/CO)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol?
The InChIKey is NWTAXILPFBSIFX-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-23-16-7-4-13(5-8-16)17-12-15(3-2-10-22)21-19-9-6-14(20)11-18(17)19/h2-9,11-12,22H,10H2,1H3/b3-2+.
What are the key properties of (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol?
(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol has a molecular weight of 325.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 73349482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).