N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide

C22H23N3O3 — CID 166305795

IUPACN-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide
SMILESNC1CC(O)(CNC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H23N3O3/c23-17-11-22(27,12-17)14-24-21(26)16-6-9-19(10-7-16)28-13-18-8-5-15-3-1-2-4-20(15)25-18/h1-10,17,27H,11-14,23H2,(H,24,26)
InChIKeyABKGYXXGVIEALF-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.40
Rot. Bonds6

About N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide

N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide (PubChem CID 166305795) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide
PubChem CID166305795
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide
SMILESNC1CC(O)(CNC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H23N3O3/c23-17-11-22(27,12-17)14-24-21(26)16-6-9-19(10-7-16)28-13-18-8-5-15-3-1-2-4-20(15)25-18/h1-10,17,27H,11-14,23H2,(H,24,26)
InChIKeyABKGYXXGVIEALF-UHFFFAOYSA-N
XLogP2.40
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride
CID 110188753
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10278753
N-[(1-hydroxycyclopropyl)methyl]-4-[(1S,2R,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864463
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide?
The IUPAC name of N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide (CID 166305795) is N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide is NC1CC(O)(CNC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1.
What is the InChIKey of N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide?
The InChIKey is ABKGYXXGVIEALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c23-17-11-22(27,12-17)14-24-21(26)16-6-9-19(10-7-16)28-13-18-8-5-15-3-1-2-4-20(15)25-18/h1-10,17,27H,11-14,23H2,(H,24,26).
What are the key properties of N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide?
N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide is sourced from PubChem (CID 166305795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).