(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone

C19H18N2O4 — CID 54033448

IUPAC(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(OC)cc2)c2c([N+](=O)[O-])cccc2n1C
InChIInChI=1S/C19H18N2O4/c1-4-14-18(19(22)12-8-10-13(25-3)11-9-12)17-15(20(14)2)6-5-7-16(17)21(23)24/h5-11H,4H2,1-3H3
InChIKeyLHGFNDZEWQNNPN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.89
Rot. Bonds5

About (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone

(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 54033448) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID54033448
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(OC)cc2)c2c([N+](=O)[O-])cccc2n1C
InChIInChI=1S/C19H18N2O4/c1-4-14-18(19(22)12-8-10-13(25-3)11-9-12)17-15(20(14)2)6-5-7-16(17)21(23)24/h5-11H,4H2,1-3H3
InChIKeyLHGFNDZEWQNNPN-UHFFFAOYSA-N
XLogP3.89
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethanol;(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone
CID 162069516
(4-methoxyphenyl)-[2-(2-nitrophenyl)-1-benzothiophen-3-yl]methanone
CID 46228262
N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide
CID 10042619
2-(4-methoxyphenyl)-1-(2-methyl-6-nitrophenyl)ethanone
CID 61055081
3-hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)propan-1-one
CID 71414206
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
methyl 1-[2-(4-methoxyphenyl)ethyl]-5-nitro-2-oxoquinoline-3-carboxylate
CID 142731603
(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 22724521
(6-fluoro-9-nitro-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-(4-methoxyphenyl)methanone
CID 164519680
1-(2-methoxyethyl)-4-nitroindole-3-carboxylic acid
CID 67255308
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260414

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone (CID 54033448) is (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone is CCc1c(C(=O)c2ccc(OC)cc2)c2c([N+](=O)[O-])cccc2n1C.
What is the InChIKey of (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is LHGFNDZEWQNNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-14-18(19(22)12-8-10-13(25-3)11-9-12)17-15(20(14)2)6-5-7-16(17)21(23)24/h5-11H,4H2,1-3H3.
What are the key properties of (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone?
(2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 338.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-methyl-4-nitroindol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 54033448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).