2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide

C26H30N4O — CID 176905271

IUPAC2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CCCN(C)CC2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H30N4O/c1-19-8-9-20(30-15-5-14-29(2)16-17-30)18-22(19)25(31)28-26(11-12-26)23-10-13-27-24-7-4-3-6-21(23)24/h3-4,6-10,13,18H,5,11-12,14-17H2,1-2H3,(H,28,31)
InChIKeyRZHQHLZULRMFQJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide

2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide (PubChem CID 176905271) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
PubChem CID176905271
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CCCN(C)CC2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H30N4O/c1-19-8-9-20(30-15-5-14-29(2)16-17-30)18-22(19)25(31)28-26(11-12-26)23-10-13-27-24-7-4-3-6-21(23)24/h3-4,6-10,13,18H,5,11-12,14-17H2,1-2H3,(H,28,31)
InChIKeyRZHQHLZULRMFQJ-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The IUPAC name of 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide (CID 176905271) is 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The canonical SMILES for 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide is Cc1ccc(N2CCCN(C)CC2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1.
What is the InChIKey of 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The InChIKey is RZHQHLZULRMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19-8-9-20(30-15-5-14-29(2)16-17-30)18-22(19)25(31)28-26(11-12-26)23-10-13-27-24-7-4-3-6-21(23)24/h3-4,6-10,13,18H,5,11-12,14-17H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide?
2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide is sourced from PubChem (CID 176905271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).