6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine

C23H22N4O3 — CID 18967573

IUPAC6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC
InChIInChI=1S/C23H22N4O3/c1-15-10-16(7-8-20(15)30-13-17-6-4-5-9-24-17)27-23-18-11-21(28-2)22(29-3)12-19(18)25-14-26-23/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeyNDHNEUUBLJKLCP-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.67
Rot. Bonds7

About 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine

6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine (PubChem CID 18967573) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
PubChem CID18967573
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC
InChIInChI=1S/C23H22N4O3/c1-15-10-16(7-8-20(15)30-13-17-6-4-5-9-24-17)27-23-18-11-21(28-2)22(29-3)12-19(18)25-14-26-23/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeyNDHNEUUBLJKLCP-UHFFFAOYSA-N
XLogP4.67
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine (CID 18967573) is 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine?
The InChIKey is NDHNEUUBLJKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-10-16(7-8-20(15)30-13-17-6-4-5-9-24-17)27-23-18-11-21(28-2)22(29-3)12-19(18)25-14-26-23/h4-12,14H,13H2,1-3H3,(H,25,26,27).
What are the key properties of 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine?
6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine has a molecular weight of 402.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 18967573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).