N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide

C16H20N2O2 — CID 664630

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C
InChIInChI=1S/C16H20N2O2/c1-4-15(19)18(11(2)3)10-13-9-12-7-5-6-8-14(12)17-16(13)20/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyXTVUZGOQHVXQCV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 664630) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID664630
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C
InChIInChI=1S/C16H20N2O2/c1-4-15(19)18(11(2)3)10-13-9-12-7-5-6-8-14(12)17-16(13)20/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyXTVUZGOQHVXQCV-UHFFFAOYSA-N
XLogP2.68
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide (CID 664630) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is XTVUZGOQHVXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-15(19)18(11(2)3)10-13-9-12-7-5-6-8-14(12)17-16(13)20/h5-9,11H,4,10H2,1-3H3,(H,17,20).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 664630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).