(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone

C23H26N4O — CID 124969600

IUPAC(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C)C[C@@H](Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C23H26N4O/c1-17-5-3-7-22(25-17)23(28)27-12-11-26(2)15-19(16-27)13-18-8-9-21-20(14-18)6-4-10-24-21/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyJJZYCXADESXXDG-LJQANCHMSA-N
MW374.49 g/mol
LogP3.18
Rot. Bonds3

About (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone

(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 124969600) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID124969600
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C)C[C@@H](Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C23H26N4O/c1-17-5-3-7-22(25-17)23(28)27-12-11-26(2)15-19(16-27)13-18-8-9-21-20(14-18)6-4-10-24-21/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyJJZYCXADESXXDG-LJQANCHMSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110131996
(2-methylpyrimidin-4-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950849
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110132081
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 124969600) is (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone is Cc1cccc(C(=O)N2CCN(C)C[C@@H](Cc3ccc4ncccc4c3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is JJZYCXADESXXDG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-5-3-7-22(25-17)23(28)27-12-11-26(2)15-19(16-27)13-18-8-9-21-20(14-18)6-4-10-24-21/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone?
(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 124969600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).