(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone

C24H24N6O — CID 24815216

IUPAC(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1CCN(c2ccc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H24N6O/c1-18-12-15-28(23-11-10-19-6-2-4-8-21(19)27-23)16-17-29(18)24(31)20-7-3-5-9-22(20)30-25-13-14-26-30/h2-11,13-14,18H,12,15-17H2,1H3
InChIKeyRLUWYISBECCXSD-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.56
Rot. Bonds3

About (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone

(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 24815216) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID24815216
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1CCN(c2ccc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H24N6O/c1-18-12-15-28(23-11-10-19-6-2-4-8-21(19)27-23)16-17-29(18)24(31)20-7-3-5-9-22(20)30-25-13-14-26-30/h2-11,13-14,18H,12,15-17H2,1H3
InChIKeyRLUWYISBECCXSD-UHFFFAOYSA-N
XLogP3.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[7-methyl-4-(4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121364726
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(7S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67173533
[(7R)-4-(4-amino-5-methylfuro[2,3-d]pyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90656181
[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188604
5-methyl-2-[5-methyl-4-[5-methyl-2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137137554
[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188068
[(7R)-4-(5-chloro-3-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134287151
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
[(7S)-7-methyl-4-(4-methyl-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67174168
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
[5-methyl-2-(triazol-2-yl)phenyl]-[2-(2-quinolin-2-ylethynyl)piperidin-1-yl]methanone
CID 71522462

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 24815216) is (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone is CC1CCN(c2ccc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is RLUWYISBECCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-18-12-15-28(23-11-10-19-6-2-4-8-21(19)27-23)16-17-29(18)24(31)20-7-3-5-9-22(20)30-25-13-14-26-30/h2-11,13-14,18H,12,15-17H2,1H3.
What are the key properties of (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 412.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 24815216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).