6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one

C24H24N4O3 — CID 155542766

IUPAC6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(N)nc4C)cc3c2=O)c1
InChIInChI=1S/C24H24N4O3/c1-15-19(6-9-23(25)27-15)16-4-7-21-20(13-16)24(29)28(14-26-21)11-10-17-12-18(30-2)5-8-22(17)31-3/h4-9,12-14H,10-11H2,1-3H3,(H2,25,27)
InChIKeyLQRBEFQGUWALRR-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.61
Rot. Bonds6

About 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one

6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one (PubChem CID 155542766) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one
PubChem CID155542766
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(N)nc4C)cc3c2=O)c1
InChIInChI=1S/C24H24N4O3/c1-15-19(6-9-23(25)27-15)16-4-7-21-20(13-16)24(29)28(14-26-21)11-10-17-12-18(30-2)5-8-22(17)31-3/h4-9,12-14H,10-11H2,1-3H3,(H2,25,27)
InChIKeyLQRBEFQGUWALRR-UHFFFAOYSA-N
XLogP3.61
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one?
The IUPAC name of 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one (CID 155542766) is 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one?
The canonical SMILES for 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one is COc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(N)nc4C)cc3c2=O)c1.
What is the InChIKey of 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one?
The InChIKey is LQRBEFQGUWALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-19(6-9-23(25)27-15)16-4-7-21-20(13-16)24(29)28(14-26-21)11-10-17-12-18(30-2)5-8-22(17)31-3/h4-9,12-14H,10-11H2,1-3H3,(H2,25,27).
What are the key properties of 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one?
6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one is sourced from PubChem (CID 155542766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).