5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide

C25H28N4O — CID 177268971

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3cccnc23)CC1
InChIInChI=1S/C25H28N4O/c1-17-9-10-19(29-15-20(16-29)28(2)3)14-21(17)24(30)27-25(11-12-25)22-8-4-6-18-7-5-13-26-23(18)22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,27,30)
InChIKeyWWKBHAYQKDMIDH-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.71
Rot. Bonds5

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide (PubChem CID 177268971) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
PubChem CID177268971
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3cccnc23)CC1
InChIInChI=1S/C25H28N4O/c1-17-9-10-19(29-15-20(16-29)28(2)3)14-21(17)24(30)27-25(11-12-25)22-8-4-6-18-7-5-13-26-23(18)22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,27,30)
InChIKeyWWKBHAYQKDMIDH-UHFFFAOYSA-N
XLogP3.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide (CID 177268971) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3cccnc23)CC1.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide?
The InChIKey is WWKBHAYQKDMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-9-10-19(29-15-20(16-29)28(2)3)14-21(17)24(30)27-25(11-12-25)22-8-4-6-18-7-5-13-26-23(18)22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,27,30).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide?
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide is sourced from PubChem (CID 177268971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).