N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide

C18H24N4O — CID 155983258

IUPACN,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H24N4O/c1-19-18(23)15-11-21(2)9-10-22(12-15)13-16-8-7-14-5-3-4-6-17(14)20-16/h3-8,15H,9-13H2,1-2H3,(H,19,23)
InChIKeyUKNRCAUVUXLMKN-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.34
Rot. Bonds3

About N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide

N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide (PubChem CID 155983258) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
PubChem CID155983258
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H24N4O/c1-19-18(23)15-11-21(2)9-10-22(12-15)13-16-8-7-14-5-3-4-6-17(14)20-16/h3-8,15H,9-13H2,1-2H3,(H,19,23)
InChIKeyUKNRCAUVUXLMKN-UHFFFAOYSA-N
XLogP1.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide (CID 155983258) is N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide?
The InChIKey is UKNRCAUVUXLMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-19-18(23)15-11-21(2)9-10-22(12-15)13-16-8-7-14-5-3-4-6-17(14)20-16/h3-8,15H,9-13H2,1-2H3,(H,19,23).
What are the key properties of N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide?
N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 155983258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).