(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C26H25ClN4O2 — CID 1025172

IUPAC(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H25ClN4O2/c27-20-8-4-7-18(13-20)24-21(16-28)26(29)31(30-9-11-33-12-10-30)22-14-19(15-23(32)25(22)24)17-5-2-1-3-6-17/h1-8,13,19,24H,9-12,14-15,29H2/t19-,24-/m1/s1
InChIKeyNRLNWDGMWRSCCL-NTKDMRAZSA-N
MW460.97 g/mol
LogP4.08
Rot. Bonds3

About (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 1025172) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID1025172
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H25ClN4O2/c27-20-8-4-7-18(13-20)24-21(16-28)26(29)31(30-9-11-33-12-10-30)22-14-19(15-23(32)25(22)24)17-5-2-1-3-6-17/h1-8,13,19,24H,9-12,14-15,29H2/t19-,24-/m1/s1
InChIKeyNRLNWDGMWRSCCL-NTKDMRAZSA-N
XLogP4.08
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-amino-1-morpholin-4-yl-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23804118
(4R,7S)-2-amino-4-(4-chlorophenyl)-1-(dimethylamino)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1024491
2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5160476
2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3861305
2-amino-7-(3-chlorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 3402425
2-amino-7,7-dimethyl-1-morpholin-4-yl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3780586
(4S,7S)-2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1025141
2-amino-1-(dimethylamino)-5-oxo-4-(3-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23889145
(4S,7R)-2-amino-1-(2-chlorophenyl)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 6547984
(4S,7S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92849077
(4S,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1012462
(4S,7R)-2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1024472

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 1025172) is (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is NRLNWDGMWRSCCL-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-20-8-4-7-18(13-20)24-21(16-28)26(29)31(30-9-11-33-12-10-30)22-14-19(15-23(32)25(22)24)17-5-2-1-3-6-17/h1-8,13,19,24H,9-12,14-15,29H2/t19-,24-/m1/s1.
What are the key properties of (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
(4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 460.97 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-2-amino-4-(3-chlorophenyl)-1-morpholin-4-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 1025172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).