N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide

C18H19N3O — CID 56863740

IUPACN-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1ccnc2ccccc12)n1cccc1
InChIInChI=1S/C18H19N3O/c1-14(21-11-5-6-12-21)18(22)20(2)13-15-9-10-19-17-8-4-3-7-16(15)17/h3-12,14H,13H2,1-2H3
InChIKeyOVTDZYWHAYALHJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide

N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide (PubChem CID 56863740) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
PubChem CID56863740
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1ccnc2ccccc12)n1cccc1
InChIInChI=1S/C18H19N3O/c1-14(21-11-5-6-12-21)18(22)20(2)13-15-9-10-19-17-8-4-3-7-16(15)17/h3-12,14H,13H2,1-2H3
InChIKeyOVTDZYWHAYALHJ-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
CID 50982439
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
1-quinolin-4-ylbutan-2-one
CID 15695851
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 97188254
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
4-[amino(quinolin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 174299546

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide (CID 56863740) is N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide is CC(C(=O)N(C)Cc1ccnc2ccccc12)n1cccc1.
What is the InChIKey of N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide?
The InChIKey is OVTDZYWHAYALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(21-11-5-6-12-21)18(22)20(2)13-15-9-10-19-17-8-4-3-7-16(15)17/h3-12,14H,13H2,1-2H3.
What are the key properties of N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide?
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide is sourced from PubChem (CID 56863740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).