7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

C18H14N2O4 — CID 12003198

IUPAC7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCc1ccc2c(c1)C(c1cccc([N+](=O)[O-])c1)C1=C(COC1=O)N2
InChIInChI=1S/C18H14N2O4/c1-10-5-6-14-13(7-10)16(17-15(19-14)9-24-18(17)21)11-3-2-4-12(8-11)20(22)23/h2-8,16,19H,9H2,1H3
InChIKeyRGCKMNXOUXFJPT-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.27
Rot. Bonds2

About 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 12003198) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID12003198
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCc1ccc2c(c1)C(c1cccc([N+](=O)[O-])c1)C1=C(COC1=O)N2
InChIInChI=1S/C18H14N2O4/c1-10-5-6-14-13(7-10)16(17-15(19-14)9-24-18(17)21)11-3-2-4-12(8-11)20(22)23/h2-8,16,19H,9H2,1H3
InChIKeyRGCKMNXOUXFJPT-UHFFFAOYSA-N
XLogP3.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
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

3-acetyl-2-methyl-4-(3-nitrophenyl)-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one
CID 10979935
(9R)-6,7-dimethoxy-9-phenyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 102133784
(8S)-8-(3-methoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846178
(8R)-8-phenyl-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 1482126
9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
CID 11843771
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
(3aS,4S,9bR)-8-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 1369481
(3aS,4R,9bS)-8-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7322770
8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593161
CID 161251558
CID 161251558
9,9-dimethyl-12-(3-nitrophenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 4583101
(6R,9R)-9-(4-methylphenyl)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1299867

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 12003198) is 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is Cc1ccc2c(c1)C(c1cccc([N+](=O)[O-])c1)C1=C(COC1=O)N2.
What is the InChIKey of 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is RGCKMNXOUXFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10-5-6-14-13(7-10)16(17-15(19-14)9-24-18(17)21)11-3-2-4-12(8-11)20(22)23/h2-8,16,19H,9H2,1H3.
What are the key properties of 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 322.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(3-nitrophenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 12003198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).