N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C20H29N3O2 — CID 53174850

IUPACN-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCN(CC)CCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C20H29N3O2/c1-4-23(5-2)12-6-11-21-19(24)10-9-17-14-16-8-7-15(3)13-18(16)22-20(17)25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYQDFVGGVIMBXQL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.62
Rot. Bonds9

About N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 53174850) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID53174850
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCN(CC)CCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C20H29N3O2/c1-4-23(5-2)12-6-11-21-19(24)10-9-17-14-16-8-7-15(3)13-18(16)22-20(17)25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYQDFVGGVIMBXQL-UHFFFAOYSA-N
XLogP2.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110632676
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
1-[3-(diethylamino)propyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea
CID 3185880
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
1-[2-(diethylamino)ethyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 3172670

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 53174850) is N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is CCN(CC)CCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is YQDFVGGVIMBXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-23(5-2)12-6-11-21-19(24)10-9-17-14-16-8-7-15(3)13-18(16)22-20(17)25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 343.47 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 53174850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).