(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide

C20H19N3O2 — CID 24852332

IUPAC(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN/C3=C(\C(N)=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-25-13-7-8-16-15(11-13)14-9-10-22-19(18(14)23-16)17(20(21)24)12-5-3-2-4-6-12/h2-8,11,22-23H,9-10H2,1H3,(H2,21,24)/b19-17-
InChIKeyNETXIDVTGLLBQQ-ZPHPHTNESA-N
MW333.39 g/mol
LogP2.68
Rot. Bonds3

About (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide

(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide (PubChem CID 24852332) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
PubChem CID24852332
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN/C3=C(\C(N)=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-25-13-7-8-16-15(11-13)14-9-10-22-19(18(14)23-16)17(20(21)24)12-5-3-2-4-6-12/h2-8,11,22-23H,9-10H2,1H3,(H2,21,24)/b19-17-
InChIKeyNETXIDVTGLLBQQ-ZPHPHTNESA-N
XLogP2.68
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 131885395
CID 131885395
(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide
CID 24852329
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
CID 121005504
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970
acetic acid;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993556
2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
CID 7038452
acetic acid;1-(2-chlorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993549
6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide
CID 18794229
[1-(1-aminoethyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone
CID 3845435
(3-methoxyphenyl)-(6-methoxy-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 164616850
3-acetyl-9-methoxy-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid
CID 152636602

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide?
The IUPAC name of (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide (CID 24852332) is (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide.
What is the SMILES notation for (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide?
The canonical SMILES for (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide is COc1ccc2[nH]c3c(c2c1)CCN/C3=C(\C(N)=O)c1ccccc1.
What is the InChIKey of (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide?
The InChIKey is NETXIDVTGLLBQQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-13-7-8-16-15(11-13)14-9-10-22-19(18(14)23-16)17(20(21)24)12-5-3-2-4-6-12/h2-8,11,22-23H,9-10H2,1H3,(H2,21,24)/b19-17-.
What are the key properties of (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide?
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide has a molecular weight of 333.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide is sourced from PubChem (CID 24852332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).