4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide

C25H30N2O2 — CID 1401134

IUPAC4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C25H30N2O2/c1-16(2)27(24(29)18-10-12-21(13-11-18)25(4,5)6)15-20-14-19-9-7-8-17(3)22(19)26-23(20)28/h7-14,16H,15H2,1-6H3,(H,26,28)
InChIKeyGPBXLVARYOTNQD-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.18
Rot. Bonds4

About 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide

4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 1401134) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID1401134
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C25H30N2O2/c1-16(2)27(24(29)18-10-12-21(13-11-18)25(4,5)6)15-20-14-19-9-7-8-17(3)22(19)26-23(20)28/h7-14,16H,15H2,1-6H3,(H,26,28)
InChIKeyGPBXLVARYOTNQD-UHFFFAOYSA-N
XLogP5.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide (CID 1401134) is 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide is Cc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)c(=O)[nH]c12.
What is the InChIKey of 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is GPBXLVARYOTNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16(2)27(24(29)18-10-12-21(13-11-18)25(4,5)6)15-20-14-19-9-7-8-17(3)22(19)26-23(20)28/h7-14,16H,15H2,1-6H3,(H,26,28).
What are the key properties of 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1401134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).