(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

C24H26N4O — CID 147623415

IUPAC(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
SMILESC[C@@H]1CC(=O)Cc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2N1
InChIInChI=1S/C24H26N4O/c1-16-11-21(29)13-19-5-3-7-23(24(19)26-16)28-10-4-6-18-12-17(8-9-22(18)28)20-14-25-27(2)15-20/h3,5,7-9,12,14-16,26H,4,6,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyGEHUCZSNZULQOH-MRXNPFEDSA-N
MW386.50 g/mol
LogP4.49
Rot. Bonds2

About (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

(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 (PubChem CID 147623415) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID147623415
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(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
SMILESC[C@@H]1CC(=O)Cc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2N1
InChIInChI=1S/C24H26N4O/c1-16-11-21(29)13-19-5-3-7-23(24(19)26-16)28-10-4-6-18-12-17(8-9-22(18)28)20-14-25-27(2)15-20/h3,5,7-9,12,14-16,26H,4,6,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyGEHUCZSNZULQOH-MRXNPFEDSA-N
XLogP4.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
5-[7-(difluoromethyl)-1-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
CID 158935370
N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine
CID 145408713
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 166976538
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373054
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365523
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
CID 121373492

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CC(=O)Cc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2N1.
What is the InChIKey of (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?
The InChIKey is GEHUCZSNZULQOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-11-21(29)13-19-5-3-7-23(24(19)26-16)28-10-4-6-18-12-17(8-9-22(18)28)20-14-25-27(2)15-20/h3,5,7-9,12,14-16,26H,4,6,10-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 386.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 147623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).