2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C22H22N4O2 — CID 69454639

IUPAC2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C22H22N4O2/c1-3-28-20-10-6-9-17(25-20)16-8-5-4-7-15(16)14-11-18-21(19(27)12-14)13(2)24-22(23)26-18/h4-10,14H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKeyHRTNUKLQAFAHOT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.74
Rot. Bonds4

About 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69454639) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69454639
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C22H22N4O2/c1-3-28-20-10-6-9-17(25-20)16-8-5-4-7-15(16)14-11-18-21(19(27)12-14)13(2)24-22(23)26-18/h4-10,14H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKeyHRTNUKLQAFAHOT-UHFFFAOYSA-N
XLogP3.74
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69454639) is 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is CCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1.
What is the InChIKey of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HRTNUKLQAFAHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-28-20-10-6-9-17(25-20)16-8-5-4-7-15(16)14-11-18-21(19(27)12-14)13(2)24-22(23)26-18/h4-10,14H,3,11-12H2,1-2H3,(H2,23,24,26).
What are the key properties of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69454639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).