2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile

C20H15N3O2 — CID 91076282

IUPAC2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2ccccc2)C1C#N
InChIInChI=1S/C20H15N3O2/c1-23-15-10-6-5-9-13(15)18-17(20(23)24)16(12-7-3-2-4-8-12)14(11-21)19(22)25-18/h2-10,14,16,22H,1H3/b22-19-
InChIKeyDFSQKVSWQGIUJL-QOCHGBHMSA-N
MW329.36 g/mol
LogP3.18
Rot. Bonds1

About 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile

2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 91076282) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID91076282
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2ccccc2)C1C#N
InChIInChI=1S/C20H15N3O2/c1-23-15-10-6-5-9-13(15)18-17(20(23)24)16(12-7-3-2-4-8-12)14(11-21)19(22)25-18/h2-10,14,16,22H,1H3/b22-19-
InChIKeyDFSQKVSWQGIUJL-QOCHGBHMSA-N
XLogP3.18
TPSA78.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4919815
2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4919909
2-amino-6-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920235
2-amino-4-(3-bromophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 20421684
2,6-Dimethyl-2-(4-methylpent-3-enyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 44559726
2,6-Dimethyl-2-(4-methyl-3-oxopentyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 44559731
Benzosimuline
CID 5321951
6-methyl-4-phenyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920638
4-(4-ethylphenyl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920667
2-Ethenyl-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 168291090
4-(3-fluorophenyl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4974994
(1S,14S,26R)-4,13,13,23-tetramethyl-26-(2-methylprop-1-enyl)-12,15-dioxa-4,23-diazahexacyclo[12.12.0.02,11.05,10.016,25.017,22]hexacosa-2(11),5,7,9,16(25),17,19,21-octaene-3,24-dione
CID 5319347

Frequently Asked Questions

What is the IUPAC name of 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile (CID 91076282) is 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile is [H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2ccccc2)C1C#N.
What is the InChIKey of 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is DFSQKVSWQGIUJL-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-23-15-10-6-5-9-13(15)18-17(20(23)24)16(12-7-3-2-4-8-12)14(11-21)19(22)25-18/h2-10,14,16,22H,1H3/b22-19-.
What are the key properties of 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 91076282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).