(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

C22H19BrN4O2 — CID 28611393

IUPAC(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br
InChIInChI=1S/C22H19BrN4O2/c1-26(2)17-9-8-12(10-15(17)23)18-14(11-24)21(25)29-20-13-6-4-5-7-16(13)27(3)22(28)19(18)20/h4-10,18H,25H2,1-3H3/t18-/m1/s1
InChIKeyFNUPNJWTSLZHCB-GOSISDBHSA-N
MW451.32 g/mol
LogP3.59
Rot. Bonds2

About (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 28611393) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID28611393
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br
InChIInChI=1S/C22H19BrN4O2/c1-26(2)17-9-8-12(10-15(17)23)18-14(11-24)21(25)29-20-13-6-4-5-7-16(13)27(3)22(28)19(18)20/h4-10,18H,25H2,1-3H3/t18-/m1/s1
InChIKeyFNUPNJWTSLZHCB-GOSISDBHSA-N
XLogP3.59
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

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-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-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23655081
2-amino-4-(3-bromo-4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 24853533
2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 24853534
2-amino-4-(3-bromo-4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 24853535
2-amino-4-(3,5-dibromophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 24853669
N-(2-bromo-4-methylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862015
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920271
2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920272
2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 145992330

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 28611393) is (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br.
What is the InChIKey of (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is FNUPNJWTSLZHCB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-26(2)17-9-8-12(10-15(17)23)18-14(11-24)21(25)29-20-13-6-4-5-7-16(13)27(3)22(28)19(18)20/h4-10,18H,25H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
(4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 451.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 28611393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).