2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole

C21H17NO — CID 4663582

IUPAC2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole
SMILESCOc1ccc2c3c(ccc2c1)-c1[nH]c2ccccc2c1CC3
InChIInChI=1S/C21H17NO/c1-23-14-7-9-15-13(12-14)6-8-18-16(15)10-11-19-17-4-2-3-5-20(17)22-21(18)19/h2-9,12,22H,10-11H2,1H3
InChIKeyRTPNLSUMOYYIBH-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.10
Rot. Bonds1

About 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole

2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole (PubChem CID 4663582) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole.

Molecular Properties

Compound Name2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole
PubChem CID4663582
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole
SMILESCOc1ccc2c3c(ccc2c1)-c1[nH]c2ccccc2c1CC3
InChIInChI=1S/C21H17NO/c1-23-14-7-9-15-13(12-14)6-8-18-16(15)10-11-19-17-4-2-3-5-20(17)22-21(18)19/h2-9,12,22H,10-11H2,1H3
InChIKeyRTPNLSUMOYYIBH-UHFFFAOYSA-N
XLogP5.10
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole?
The IUPAC name of 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole (CID 4663582) is 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole.
What is the SMILES notation for 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole?
The canonical SMILES for 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole is COc1ccc2c3c(ccc2c1)-c1[nH]c2ccccc2c1CC3.
What is the InChIKey of 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole?
The InChIKey is RTPNLSUMOYYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-23-14-7-9-15-13(12-14)6-8-18-16(15)10-11-19-17-4-2-3-5-20(17)22-21(18)19/h2-9,12,22H,10-11H2,1H3.
What are the key properties of 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole?
2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole has a molecular weight of 299.37 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,11-dihydro-5H-naphtho[2,1-a]carbazole is sourced from PubChem (CID 4663582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).