(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

C23H17N3O2S — CID 7347521

IUPAC(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCc1sc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C23H17N3O2S/c1-12-18(14-8-4-6-10-17(14)29-12)19-15(11-24)22(25)28-21-13-7-3-5-9-16(13)26(2)23(27)20(19)21/h3-10,19H,25H2,1-2H3/t19-/m0/s1
InChIKeyUMRJEVZFQPDDAU-IBGZPJMESA-N
MW399.48 g/mol
LogP4.28
Rot. Bonds1

About (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 7347521) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID7347521
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCc1sc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C23H17N3O2S/c1-12-18(14-8-4-6-10-17(14)29-12)19-15(11-24)22(25)28-21-13-7-3-5-9-16(13)26(2)23(27)20(19)21/h3-10,19H,25H2,1-2H3/t19-/m0/s1
InChIKeyUMRJEVZFQPDDAU-IBGZPJMESA-N
XLogP4.28
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 5301845
(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965
(4R)-2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611122
2-amino-4-(4-bromothiophen-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920545
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920271
2-amino-6-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920273
2-amino-4-(2,3-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920236
2-amino-4-(4-ethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920617
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3830531
(4S)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 95401683
[4-[(4R)-2-amino-3-cyano-6-methyl-5-oxo-4H-pyrano[3,2-c]quinolin-4-yl]-2-bromo-6-methoxyphenyl] acetate
CID 28611372

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 7347521) is (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is Cc1sc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is UMRJEVZFQPDDAU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-12-18(14-8-4-6-10-17(14)29-12)19-15(11-24)22(25)28-21-13-7-3-5-9-16(13)26(2)23(27)20(19)21/h3-10,19H,25H2,1-2H3/t19-/m0/s1.
What are the key properties of (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 399.48 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 7347521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).