2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

C22H25BrN4O2 — CID 5160476

IUPAC2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccc(Br)c1
InChIInChI=1S/C22H25BrN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-4-3-5-15(23)10-14)16(13-24)21(25)27(17)26-6-8-29-9-7-26/h3-5,10,19H,6-9,11-12,25H2,1-2H3
InChIKeyMQKFHRNPZOELDR-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 5160476) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID5160476
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccc(Br)c1
InChIInChI=1S/C22H25BrN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-4-3-5-15(23)10-14)16(13-24)21(25)27(17)26-6-8-29-9-7-26/h3-5,10,19H,6-9,11-12,25H2,1-2H3
InChIKeyMQKFHRNPZOELDR-UHFFFAOYSA-N
XLogP3.43
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-7,7-dimethyl-1-morpholin-4-yl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3780586
2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3280278
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 23973124
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4650072
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4076918
2-amino-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5054807
2-amino-1-morpholin-4-yl-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23804118
2-amino-1-(3-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3268374
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3862252
(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1025172
(4R)-2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126154278
(4S)-2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1045923

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 5160476) is 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccc(Br)c1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is MQKFHRNPZOELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-4-3-5-15(23)10-14)16(13-24)21(25)27(17)26-6-8-29-9-7-26/h3-5,10,19H,6-9,11-12,25H2,1-2H3.
What are the key properties of 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 457.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 5160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).