(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile

C25H31N3O2 — CID 100799008

IUPAC(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESC[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21
InChIInChI=1S/C25H31N3O2/c1-14-10-25(4,5)28(6)18-8-7-15(9-16(14)18)21-17(13-26)23(27)30-20-12-24(2,3)11-19(29)22(20)21/h7-9,14,21H,10-12,27H2,1-6H3/t14-,21-/m1/s1
InChIKeyOITUOTRRXAYPNP-SPLOXXLWSA-N
MW405.54 g/mol
LogP4.86
Rot. Bonds1

About (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile

(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile (PubChem CID 100799008) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile
PubChem CID100799008
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESC[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21
InChIInChI=1S/C25H31N3O2/c1-14-10-25(4,5)28(6)18-8-7-15(9-16(14)18)21-17(13-26)23(27)30-20-12-24(2,3)11-19(29)22(20)21/h7-9,14,21H,10-12,27H2,1-6H3/t14-,21-/m1/s1
InChIKeyOITUOTRRXAYPNP-SPLOXXLWSA-N
XLogP4.86
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile with MolForge

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Related Compounds

(4S)-2-amino-4-[3-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 92643600
(4R)-2-amino-7,7-dimethyl-5-oxo-4-(4-phenylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2180497
2-amino-7,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2839513
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2828792
2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3558397
(4S)-2-amino-4-(4-methoxy-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 1420852
(4R)-2-amino-7,7-dimethyl-5-oxo-4-(4-propan-2-yloxyphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 1087984
[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenyl] acetate
CID 1243376
(4S)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 7242366
[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenyl] acetate
CID 2864640
2-amino-4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile;ethanol
CID 90481421
2-amino-4,7,7-trimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2841038

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile (CID 100799008) is (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile is C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21.
What is the InChIKey of (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile?
The InChIKey is OITUOTRRXAYPNP-SPLOXXLWSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-14-10-25(4,5)28(6)18-8-7-15(9-16(14)18)21-17(13-26)23(27)30-20-12-24(2,3)11-19(29)22(20)21/h7-9,14,21H,10-12,27H2,1-6H3/t14-,21-/m1/s1.
What are the key properties of (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile?
(4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile has a molecular weight of 405.54 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7,7-dimethyl-5-oxo-4-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]-6,8-dihydro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 100799008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).