(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone

C20H22N2O — CID 3428256

IUPAC(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-14-8-9-18-16(12-14)17-13-21(2)11-10-19(17)22(18)20(23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeyOVDAQVIEYIDYQE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.44
Rot. Bonds1

About (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone

(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone (PubChem CID 3428256) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone
PubChem CID3428256
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-14-8-9-18-16(12-14)17-13-21(2)11-10-19(17)22(18)20(23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeyOVDAQVIEYIDYQE-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone?
The IUPAC name of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone (CID 3428256) is (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone.
What is the SMILES notation for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone?
The canonical SMILES for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone is Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1ccccc1.
What is the InChIKey of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone?
The InChIKey is OVDAQVIEYIDYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-8-9-18-16(12-14)17-13-21(2)11-10-19(17)22(18)20(23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3.
What are the key properties of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone?
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone has a molecular weight of 306.41 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone is sourced from PubChem (CID 3428256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).