(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

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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).