N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

C22H24N2O2 — CID 3528810

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1cc2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H24N2O2/c1-15-12-19-14-18(22(26)24-20(19)13-16(15)2)10-11-23-21(25)9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKHZCTXQVDPGKIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 3528810) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
PubChem CID3528810
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1cc2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H24N2O2/c1-15-12-19-14-18(22(26)24-20(19)13-16(15)2)10-11-23-21(25)9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKHZCTXQVDPGKIV-UHFFFAOYSA-N
XLogP3.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87935
CID 87935
CID 3766139
CID 3766139
CID 24941262
CID 24941262
CID 9926586
CID 9926586
CID 9865843
CID 9865843
CID 66476
CID 66476
CID 75847
CID 75847
CID 24906291
CID 24906291
CID 9839842
CID 9839842
CID 668813
CID 668813
CID 1080352
CID 1080352
CID 10802699
CID 10802699

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (CID 3528810) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is Cc1cc2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is KHZCTXQVDPGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-12-19-14-18(22(26)24-20(19)13-16(15)2)10-11-23-21(25)9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 3528810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).