(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one

C23H16ClNO2 — CID 45257570

IUPAC(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4ccccc4c3)cc2c1
InChIInChI=1S/C23H16ClNO2/c1-27-20-9-10-21-19(14-20)13-18(23(24)25-21)8-11-22(26)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3/b11-8+
InChIKeyPBVTXLKJBDMAIM-DHZHZOJOSA-N
MW373.84 g/mol
LogP5.95
Rot. Bonds4

About (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 45257570) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID45257570
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4ccccc4c3)cc2c1
InChIInChI=1S/C23H16ClNO2/c1-27-20-9-10-21-19(14-20)13-18(23(24)25-21)8-11-22(26)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3/b11-8+
InChIKeyPBVTXLKJBDMAIM-DHZHZOJOSA-N
XLogP5.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 71551368
CID 71551368
(E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 6476747
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 40564659
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 17023046
3-(3-chloro-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 5042284
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-ene-1-thiol
CID 169456488

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one (CID 45257570) is (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one is COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4ccccc4c3)cc2c1.
What is the InChIKey of (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is PBVTXLKJBDMAIM-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H16ClNO2/c1-27-20-9-10-21-19(14-20)13-18(23(24)25-21)8-11-22(26)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3/b11-8+.
What are the key properties of (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 373.84 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 45257570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).