(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one

C20H16N2O4 — CID 7222400

IUPAC(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2C3=C(N=C(C)C2[N+](=O)[O-])c2ccccc2C3=O)cc1
InChIInChI=1S/C20H16N2O4/c1-11-19(22(24)25)16(12-7-9-13(26-2)10-8-12)17-18(21-11)14-5-3-4-6-15(14)20(17)23/h3-10,16,19H,1-2H3/t16-,19?/m0/s1
InChIKeyGOOXPBZMMBJPAY-UCFFOFKASA-N
MW348.36 g/mol
LogP3.51
Rot. Bonds3

About (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one

(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 7222400) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID7222400
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2C3=C(N=C(C)C2[N+](=O)[O-])c2ccccc2C3=O)cc1
InChIInChI=1S/C20H16N2O4/c1-11-19(22(24)25)16(12-7-9-13(26-2)10-8-12)17-18(21-11)14-5-3-4-6-15(14)20(17)23/h3-10,16,19H,1-2H3/t16-,19?/m0/s1
InChIKeyGOOXPBZMMBJPAY-UCFFOFKASA-N
XLogP3.51
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one (CID 7222400) is (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one is COc1ccc([C@H]2C3=C(N=C(C)C2[N+](=O)[O-])c2ccccc2C3=O)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is GOOXPBZMMBJPAY-UCFFOFKASA-N. The full InChI is InChI=1S/C20H16N2O4/c1-11-19(22(24)25)16(12-7-9-13(26-2)10-8-12)17-18(21-11)14-5-3-4-6-15(14)20(17)23/h3-10,16,19H,1-2H3/t16-,19?/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 348.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 7222400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).