N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide

C20H29N3O2 — CID 110331789

IUPACN-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CCC(=O)NCCCN(C)C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-14(2)15-6-8-18-17(12-15)13-16(20(25)22-18)7-9-19(24)21-10-5-11-23(3)4/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMYKHAFXNDFBRAS-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.65
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide

N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide (PubChem CID 110331789) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide
PubChem CID110331789
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CCC(=O)NCCCN(C)C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-14(2)15-6-8-18-17(12-15)13-16(20(25)22-18)7-9-19(24)21-10-5-11-23(3)4/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMYKHAFXNDFBRAS-UHFFFAOYSA-N
XLogP2.65
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.65
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

N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea
CID 110662870
N-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662860
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
CID 110617828

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide (CID 110331789) is N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide is CC(C)c1ccc2[nH]c(=O)c(CCC(=O)NCCCN(C)C)cc2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide?
The InChIKey is MYKHAFXNDFBRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)15-6-8-18-17(12-15)13-16(20(25)22-18)7-9-19(24)21-10-5-11-23(3)4/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide?
N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide has a molecular weight of 343.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).