N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide

C20H20N2O — CID 92883220

IUPACN-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O/c1-3-14(2)22-20(23)17-9-6-8-15(11-17)18-12-16-7-4-5-10-19(16)21-13-18/h4-14H,3H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyOBBFJMKKHCVPQR-AWEZNQCLSA-N
MW304.39 g/mol
LogP4.43
Rot. Bonds4

About N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide

N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide (PubChem CID 92883220) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
PubChem CID92883220
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O/c1-3-14(2)22-20(23)17-9-6-8-15(11-17)18-12-16-7-4-5-10-19(16)21-13-18/h4-14H,3H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyOBBFJMKKHCVPQR-AWEZNQCLSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883223
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
CID 46389962
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
CID 22587985
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide (CID 92883220) is N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide is CC[C@H](C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide?
The InChIKey is OBBFJMKKHCVPQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-14(2)22-20(23)17-9-6-8-15(11-17)18-12-16-7-4-5-10-19(16)21-13-18/h4-14H,3H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide?
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide is sourced from PubChem (CID 92883220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).