N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide

C13H18N2O — CID 110751361

IUPACN-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
SMILESCCC(=O)NC1CCN(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-13(16)14-11-8-9-15(2)12-7-5-4-6-10(11)12/h4-7,11H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyKVHWOBISWGDQEK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds2

About N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide

N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide (PubChem CID 110751361) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
PubChem CID110751361
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
SMILESCCC(=O)NC1CCN(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-13(16)14-11-8-9-15(2)12-7-5-4-6-10(11)12/h4-7,11H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyKVHWOBISWGDQEK-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751426
2-(4-methoxyphenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751393
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385
4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide
CID 166250026
1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750893
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
2-methyl-3-[methyl-[(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)carbamoyl]amino]propanoic acid
CID 122016764
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclopropanecarboxamide
CID 110424127

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide?
The IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide (CID 110751361) is N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide.
What is the SMILES notation for N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide?
The canonical SMILES for N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide is CCC(=O)NC1CCN(C)c2ccccc21.
What is the InChIKey of N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide?
The InChIKey is KVHWOBISWGDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13(16)14-11-8-9-15(2)12-7-5-4-6-10(11)12/h4-7,11H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide?
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide is sourced from PubChem (CID 110751361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).