N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C22H23ClN2O2 — CID 1397603

IUPACN-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H23ClN2O2/c1-14-5-6-16-12-17(20(26)24-19(16)11-14)13-25(22(2,3)4)21(27)15-7-9-18(23)10-8-15/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyUDMRBPNATZGWDF-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.93
Rot. Bonds3

About N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1397603) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1397603
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H23ClN2O2/c1-14-5-6-16-12-17(20(26)24-19(16)11-14)13-25(22(2,3)4)21(27)15-7-9-18(23)10-8-15/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyUDMRBPNATZGWDF-UHFFFAOYSA-N
XLogP4.93
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 1399223
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3628765
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2066349
3-chloro-N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 17096453
N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421821
2,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylpropanamide
CID 936088
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 4554966

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1397603) is N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is UDMRBPNATZGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-14-5-6-16-12-17(20(26)24-19(16)11-14)13-25(22(2,3)4)21(27)15-7-9-18(23)10-8-15/h5-12H,13H2,1-4H3,(H,24,26).
What are the key properties of N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 382.89 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1397603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).