12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one

C22H17NO3 — CID 102025032

IUPAC12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one
SMILESCCn1c2ccccc2c2cc(OC)c3oc4ccccc4c(=O)c3c21
InChIInChI=1S/C22H17NO3/c1-3-23-16-10-6-4-8-13(16)15-12-18(25-2)22-19(20(15)23)21(24)14-9-5-7-11-17(14)26-22/h4-12H,3H2,1-2H3
InChIKeyBFLGNYVKGLRLQG-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.08
Rot. Bonds2

About 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one

12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one (PubChem CID 102025032) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one.

Molecular Properties

Compound Name12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one
PubChem CID102025032
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one
SMILESCCn1c2ccccc2c2cc(OC)c3oc4ccccc4c(=O)c3c21
InChIInChI=1S/C22H17NO3/c1-3-23-16-10-6-4-8-13(16)15-12-18(25-2)22-19(20(15)23)21(24)14-9-5-7-11-17(14)26-22/h4-12H,3H2,1-2H3
InChIKeyBFLGNYVKGLRLQG-UHFFFAOYSA-N
XLogP5.08
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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4-hydroxy-1-methoxyxanthen-9-one
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1-ethenyl-4-methoxyxanthen-9-one
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4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
(2S,3S)-6-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
CID 50940759
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
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3-hydroxy-1,2,4-trimethoxyxanthen-9-one
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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one?
The IUPAC name of 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one (CID 102025032) is 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one.
What is the SMILES notation for 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one?
The canonical SMILES for 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one is CCn1c2ccccc2c2cc(OC)c3oc4ccccc4c(=O)c3c21.
What is the InChIKey of 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one?
The InChIKey is BFLGNYVKGLRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-3-23-16-10-6-4-8-13(16)15-12-18(25-2)22-19(20(15)23)21(24)14-9-5-7-11-17(14)26-22/h4-12H,3H2,1-2H3.
What are the key properties of 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one?
12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one has a molecular weight of 343.38 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-6-methoxychromeno[3,2-a]carbazol-13-one is sourced from PubChem (CID 102025032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).