N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

C24H28N4O4 — CID 10296738

IUPACN-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C24H28N4O4/c1-29-21-13-17-19(14-22(21)30-12-6-11-28-9-3-2-4-10-28)25-15-26-24(17)27-18-7-5-8-20-23(18)32-16-31-20/h5,7-8,13-15H,2-4,6,9-12,16H2,1H3,(H,25,26,27)
InChIKeyFQYJMIYZRDNWFL-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.37
Rot. Bonds8

About N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 10296738) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID10296738
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C24H28N4O4/c1-29-21-13-17-19(14-22(21)30-12-6-11-28-9-3-2-4-10-28)25-15-26-24(17)27-18-7-5-8-20-23(18)32-16-31-20/h5,7-8,13-15H,2-4,6,9-12,16H2,1H3,(H,25,26,27)
InChIKeyFQYJMIYZRDNWFL-UHFFFAOYSA-N
XLogP4.37
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol
CID 69355450
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
CID 68544982
1-[4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 11489610
N-(2,3-dimethyl-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 68741831
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
4-[(5-chloro-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 10163244
6-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 85136523

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine (CID 10296738) is N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is FQYJMIYZRDNWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-29-21-13-17-19(14-22(21)30-12-6-11-28-9-3-2-4-10-28)25-15-26-24(17)27-18-7-5-8-20-23(18)32-16-31-20/h5,7-8,13-15H,2-4,6,9-12,16H2,1H3,(H,25,26,27).
What are the key properties of N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 436.51 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 10296738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).