N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C17H21N3O — CID 112523515

IUPACN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)CCCN3C)c[nH]1
InChIInChI=1S/C17H21N3O/c1-12-8-13(11-18-12)9-17(21)19-15-5-6-16-14(10-15)4-3-7-20(16)2/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyRGKXHTTXMCJPFG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds3

About N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112523515) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112523515
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)CCCN3C)c[nH]1
InChIInChI=1S/C17H21N3O/c1-12-8-13(11-18-12)9-17(21)19-15-5-6-16-14(10-15)4-3-7-20(16)2/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyRGKXHTTXMCJPFG-UHFFFAOYSA-N
XLogP2.89
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 48526400
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111336905
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 75417491
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-indole-7-carboxamide
CID 112523573
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 110907686

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112523515) is N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)Nc2ccc3c(c2)CCCN3C)c[nH]1.
What is the InChIKey of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is RGKXHTTXMCJPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-13(11-18-12)9-17(21)19-15-5-6-16-14(10-15)4-3-7-20(16)2/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 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-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112523515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).