N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C17H24N4O — CID 90720781

IUPACN,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCN(C)c1nc(OCCCN2CCCC2)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-20(2)16-14-8-3-4-9-15(14)18-17(19-16)22-13-7-12-21-10-5-6-11-21/h3-4,8-9H,5-7,10-13H2,1-2H3
InChIKeyPYVAOENIPOSRAK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.56
Rot. Bonds6

About N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 90720781) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID90720781
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCN(C)c1nc(OCCCN2CCCC2)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-20(2)16-14-8-3-4-9-15(14)18-17(19-16)22-13-7-12-21-10-5-6-11-21/h3-4,8-9H,5-7,10-13H2,1-2H3
InChIKeyPYVAOENIPOSRAK-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine 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-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
CID 21256754
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135194580
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995927
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine
CID 141130550
2-methyl-N-[3-(3-piperidin-1-ylpropoxy)-5-(trifluoromethyl)phenyl]quinolin-4-amine
CID 59644155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 90720781) is N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is CN(C)c1nc(OCCCN2CCCC2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is PYVAOENIPOSRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20(2)16-14-8-3-4-9-15(14)18-17(19-16)22-13-7-12-21-10-5-6-11-21/h3-4,8-9H,5-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 90720781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).