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

C18H25N3O2 — CID 110331619

IUPACN-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NCCN(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H25N3O2/c1-12-9-15-11-14(18(23)20-16(15)10-13(12)2)5-6-17(22)19-7-8-21(3)4/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyKNRJQXWOFXJMTK-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.76
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331619) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331619
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NCCN(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H25N3O2/c1-12-9-15-11-14(18(23)20-16(15)10-13(12)2)5-6-17(22)19-7-8-21(3)4/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyKNRJQXWOFXJMTK-UHFFFAOYSA-N
XLogP1.76
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
CID 110331606
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide
CID 110331789
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N,N-diethylpropanamide
CID 110331658
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331619) is N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cc2cc(CCC(=O)NCCN(C)C)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is KNRJQXWOFXJMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-9-15-11-14(18(23)20-16(15)10-13(12)2)5-6-17(22)19-7-8-21(3)4/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).