7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione

C22H14ClNO3 — CID 171351726

IUPAC7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
SMILESO=C1CCCc2nc3c(c(-c4ccccc4Cl)c21)c(=O)oc1ccccc13
InChIInChI=1S/C22H14ClNO3/c23-14-8-3-1-6-12(14)18-19-15(9-5-10-16(19)25)24-21-13-7-2-4-11-17(13)27-22(26)20(18)21/h1-4,6-8,11H,5,9-10H2
InChIKeyYLOJGDTYUWNABY-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.18
Rot. Bonds1

About 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione

7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione (PubChem CID 171351726) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
PubChem CID171351726
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
SMILESO=C1CCCc2nc3c(c(-c4ccccc4Cl)c21)c(=O)oc1ccccc13
InChIInChI=1S/C22H14ClNO3/c23-14-8-3-1-6-12(14)18-19-15(9-5-10-16(19)25)24-21-13-7-2-4-11-17(13)27-22(26)20(18)21/h1-4,6-8,11H,5,9-10H2
InChIKeyYLOJGDTYUWNABY-UHFFFAOYSA-N
XLogP5.18
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione with MolForge

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Related Compounds

7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
CID 171356035
3-(2-chlorophenyl)-4-sulfanylchromen-2-one
CID 139244784
6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
CID 10759718
11,27-dioxa-3,19-diazaheptacyclo[16.12.0.02,15.04,13.05,10.020,29.021,26]triaconta-1(18),2,4(13),5,7,9,14,19,21,23,25,29-dodecaene-12,28-dione
CID 177476911
11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one
CID 164666140
9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209
2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5190785
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 46691435
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
14,16-dimethyl-11-phenyl-8-oxa-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17)-hexaene-9,13,15-trione
CID 146036446
chromeno[3,4-b]pyrazin-5-one
CID 691239

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The IUPAC name of 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione (CID 171351726) is 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The canonical SMILES for 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione is O=C1CCCc2nc3c(c(-c4ccccc4Cl)c21)c(=O)oc1ccccc13.
What is the InChIKey of 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The InChIKey is YLOJGDTYUWNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-14-8-3-1-6-12(14)18-19-15(9-5-10-16(19)25)24-21-13-7-2-4-11-17(13)27-22(26)20(18)21/h1-4,6-8,11H,5,9-10H2.
What are the key properties of 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione has a molecular weight of 375.81 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione is sourced from PubChem (CID 171351726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).