6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine

C28H46N6O2 — CID 122191704

IUPAC6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)CCCCN3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
InChIInChI=1S/C28H46N6O2/c1-32(14-7-8-16-34-19-11-12-20-34)28-30-24-22-26(36-3)25(35-2)21-23(24)27(31-28)29-13-5-4-6-15-33-17-9-10-18-33/h21-22H,4-20H2,1-3H3,(H,29,30,31)
InChIKeyFLSMAKDRXCUGTG-UHFFFAOYSA-N
MW498.72 g/mol
LogP4.64
Rot. Bonds15

About 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine (PubChem CID 122191704) has the molecular formula C28H46N6O2 and a molecular weight of 498.72 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine
PubChem CID122191704
Molecular FormulaC28H46N6O2
Molecular Weight498.72 g/mol
Exact Mass498.37
IUPAC Name6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)CCCCN3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
InChIInChI=1S/C28H46N6O2/c1-32(14-7-8-16-34-19-11-12-20-34)28-30-24-22-26(36-3)25(35-2)21-23(24)27(31-28)29-13-5-4-6-15-33-17-9-10-18-33/h21-22H,4-20H2,1-3H3,(H,29,30,31)
InChIKeyFLSMAKDRXCUGTG-UHFFFAOYSA-N
XLogP4.64
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine 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

6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
2-(3,3-difluoroazetidin-1-yl)-6,7-dimethoxy-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
CID 122191700
N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine
CID 118708792
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
N-[5-(4-ethylpiperazin-1-yl)pentyl]-6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-amine
CID 10229490
4-N-[(3-bromophenyl)methyl]-6-methoxy-7-N,2-dimethyl-7-N-(7-piperidin-1-ylheptyl)quinazoline-4,7-diamine
CID 165134670
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 164704339
6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
CID 10303570
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111
N-[3-[[6,7-dimethoxy-4-(propanoylamino)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
CID 25126366
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine (CID 122191704) is 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine is COc1cc2nc(N(C)CCCCN3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine?
The InChIKey is FLSMAKDRXCUGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N6O2/c1-32(14-7-8-16-34-19-11-12-20-34)28-30-24-22-26(36-3)25(35-2)21-23(24)27(31-28)29-13-5-4-6-15-33-17-9-10-18-33/h21-22H,4-20H2,1-3H3,(H,29,30,31).
What are the key properties of 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine has a molecular weight of 498.72 g/mol, XLogP of 4.64, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine is sourced from PubChem (CID 122191704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).