(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone

C24H21NO — CID 56838054

IUPAC(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
SMILESCc1cc(C(=O)c2c3n(c4ccccc24)CCCC3)cc2ccccc12
InChIInChI=1S/C24H21NO/c1-16-14-18(15-17-8-2-3-9-19(16)17)24(26)23-20-10-4-5-11-21(20)25-13-7-6-12-22(23)25/h2-5,8-11,14-15H,6-7,12-13H2,1H3
InChIKeyWLPCBKMHDPKHBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.67
Rot. Bonds2

About (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone

(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone (PubChem CID 56838054) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
PubChem CID56838054
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
SMILESCc1cc(C(=O)c2c3n(c4ccccc24)CCCC3)cc2ccccc12
InChIInChI=1S/C24H21NO/c1-16-14-18(15-17-8-2-3-9-19(16)17)24(26)23-20-10-4-5-11-21(20)25-13-7-6-12-22(23)25/h2-5,8-11,14-15H,6-7,12-13H2,1H3
InChIKeyWLPCBKMHDPKHBZ-UHFFFAOYSA-N
XLogP5.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone?
The IUPAC name of (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone (CID 56838054) is (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone is Cc1cc(C(=O)c2c3n(c4ccccc24)CCCC3)cc2ccccc12.
What is the InChIKey of (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone?
The InChIKey is WLPCBKMHDPKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-16-14-18(15-17-8-2-3-9-19(16)17)24(26)23-20-10-4-5-11-21(20)25-13-7-6-12-22(23)25/h2-5,8-11,14-15H,6-7,12-13H2,1H3.
What are the key properties of (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone?
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone is sourced from PubChem (CID 56838054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).