N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde

C20H24N4O — CID 143235435

IUPACN-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde
SMILESCNc1cc[nH]c1.O=CC1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C15H16N2O.C5H8N2/c18-11-12-5-7-17(8-6-12)14-9-13-3-1-2-4-15(13)16-10-14;1-6-5-2-3-7-4-5/h1-4,9-12H,5-8H2;2-4,6-7H,1H3
InChIKeySVKZNHIKRVOGMO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.71
Rot. Bonds3

About N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde

N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde (PubChem CID 143235435) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde.

Molecular Properties

Compound NameN-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde
PubChem CID143235435
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde
SMILESCNc1cc[nH]c1.O=CC1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C15H16N2O.C5H8N2/c18-11-12-5-7-17(8-6-12)14-9-13-3-1-2-4-15(13)16-10-14;1-6-5-2-3-7-4-5/h1-4,9-12H,5-8H2;2-4,6-7H,1H3
InChIKeySVKZNHIKRVOGMO-UHFFFAOYSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde 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

3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde
CID 91516920
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729
methyl 1-quinolin-3-ylazetidine-2-carboxylate
CID 112581415
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
CID 62783131
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
CID 175494124
3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
CID 142421658

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde?
The IUPAC name of N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde (CID 143235435) is N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde.
What is the SMILES notation for N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde?
The canonical SMILES for N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde is CNc1cc[nH]c1.O=CC1CCN(c2cnc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde?
The InChIKey is SVKZNHIKRVOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C5H8N2/c18-11-12-5-7-17(8-6-12)14-9-13-3-1-2-4-15(13)16-10-14;1-6-5-2-3-7-4-5/h1-4,9-12H,5-8H2;2-4,6-7H,1H3.
What are the key properties of N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde?
N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde has a molecular weight of 336.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde is sourced from PubChem (CID 143235435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).