6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine

C22H27N5O2 — CID 133316627

IUPAC6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NC(CN3CCCC3)c3ccccc3)nc(N)c2cc1OC
InChIInChI=1S/C22H27N5O2/c1-28-19-12-16-17(13-20(19)29-2)24-22(26-21(16)23)25-18(14-27-10-6-7-11-27)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H3,23,24,25,26)
InChIKeyJMJNKWQCOFIQCC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.48
Rot. Bonds7

About 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine (PubChem CID 133316627) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
PubChem CID133316627
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NC(CN3CCCC3)c3ccccc3)nc(N)c2cc1OC
InChIInChI=1S/C22H27N5O2/c1-28-19-12-16-17(13-20(19)29-2)24-22(26-21(16)23)25-18(14-27-10-6-7-11-27)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H3,23,24,25,26)
InChIKeyJMJNKWQCOFIQCC-UHFFFAOYSA-N
XLogP3.48
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine (CID 133316627) is 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine is COc1cc2nc(NC(CN3CCCC3)c3ccccc3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine?
The InChIKey is JMJNKWQCOFIQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-28-19-12-16-17(13-20(19)29-2)24-22(26-21(16)23)25-18(14-27-10-6-7-11-27)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H3,23,24,25,26).
What are the key properties of 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine has a molecular weight of 393.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 133316627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).