6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine

C23H23N5O2 — CID 162646571

IUPAC6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccncc3)nc(NC(C)c3ccccc3)c2cc1OC
InChIInChI=1S/C23H23N5O2/c1-15(16-7-5-4-6-8-16)25-22-18-13-20(29-2)21(30-3)14-19(18)27-23(28-22)26-17-9-11-24-12-10-17/h4-15H,1-3H3,(H2,24,25,26,27,28)
InChIKeyPPSNIKMOSDFYOH-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.96
Rot. Bonds7

About 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine

6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine (PubChem CID 162646571) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
PubChem CID162646571
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccncc3)nc(NC(C)c3ccccc3)c2cc1OC
InChIInChI=1S/C23H23N5O2/c1-15(16-7-5-4-6-8-16)25-22-18-13-20(29-2)21(30-3)14-19(18)27-23(28-22)26-17-9-11-24-12-10-17/h4-15H,1-3H3,(H2,24,25,26,27,28)
InChIKeyPPSNIKMOSDFYOH-UHFFFAOYSA-N
XLogP4.96
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine (CID 162646571) is 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine is COc1cc2nc(Nc3ccncc3)nc(NC(C)c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The InChIKey is PPSNIKMOSDFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(16-7-5-4-6-8-16)25-22-18-13-20(29-2)21(30-3)14-19(18)27-23(28-22)26-17-9-11-24-12-10-17/h4-15H,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine?
6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine has a molecular weight of 401.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine is sourced from PubChem (CID 162646571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).