(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C24H27N5O — CID 121278122

IUPAC(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(N3CC[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)c2N1
InChIInChI=1S/C24H27N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18-13-25-28(3)14-18)22-6-4-5-20-24(22)26-16(2)11-23(30)27-20/h4-8,12-16,26H,9-11H2,1-3H3,(H,27,30)/t15-,16-/m1/s1
InChIKeyWYXPDZQFPFWNOI-HZPDHXFCSA-N
MW401.51 g/mol
LogP4.88
Rot. Bonds2

About (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121278122) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121278122
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(N3CC[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)c2N1
InChIInChI=1S/C24H27N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18-13-25-28(3)14-18)22-6-4-5-20-24(22)26-16(2)11-23(30)27-20/h4-8,12-16,26H,9-11H2,1-3H3,(H,27,30)/t15-,16-/m1/s1
InChIKeyWYXPDZQFPFWNOI-HZPDHXFCSA-N
XLogP4.88
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-6-[(4S)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 147024840
(2R)-2-methyl-9-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 147623415
(4R)-6-[(4S)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 152850842
(4S)-6-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 133053841
(4R)-4-methyl-6-[3-(1-methylpyrazol-4-yl)-1-(2-piperazin-1-ylethyl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 176983328
(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277951
(4R)-4-methyl-6-[1-(1-phenylethyl)pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277864
(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121278148
6-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 83818424
1-[3-[4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376879
(4R)-6-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 147575403
4-(4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)benzenesulfinic acid
CID 148814517

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121278122) is (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(N3CC[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)c2N1.
What is the InChIKey of (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is WYXPDZQFPFWNOI-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18-13-25-28(3)14-18)22-6-4-5-20-24(22)26-16(2)11-23(30)27-20/h4-8,12-16,26H,9-11H2,1-3H3,(H,27,30)/t15-,16-/m1/s1.
What are the key properties of (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-[(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).