5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide

C23H24N4O3 — CID 177269144

IUPAC5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(O)O)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H24N4O3/c1-15-6-7-16(26-13-17(14-26)27(29)30)12-19(15)22(28)25-23(9-10-23)20-8-11-24-21-5-3-2-4-18(20)21/h2-8,11-12,17,29-30H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyFBAVHYMZJRKFSV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.23
Rot. Bonds5

About 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide

5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide (PubChem CID 177269144) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
PubChem CID177269144
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(O)O)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H24N4O3/c1-15-6-7-16(26-13-17(14-26)27(29)30)12-19(15)22(28)25-23(9-10-23)20-8-11-24-21-5-3-2-4-18(20)21/h2-8,11-12,17,29-30H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyFBAVHYMZJRKFSV-UHFFFAOYSA-N
XLogP3.23
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938
2-methyl-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269118
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
CID 177268952
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 176905271
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
CID 177268980
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268795
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The IUPAC name of 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide (CID 177269144) is 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The canonical SMILES for 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide is Cc1ccc(N2CC(N(O)O)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1.
What is the InChIKey of 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The InChIKey is FBAVHYMZJRKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-6-7-16(26-13-17(14-26)27(29)30)12-19(15)22(28)25-23(9-10-23)20-8-11-24-21-5-3-2-4-18(20)21/h2-8,11-12,17,29-30H,9-10,13-14H2,1H3,(H,25,28).
What are the key properties of 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide?
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide is sourced from PubChem (CID 177269144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).