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

C21H20N4O — CID 71210237

IUPAC2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1
InChIInChI=1S/C21H20N4O/c1-12-7-8-17(23-11-12)16-6-4-3-5-15(16)14-9-18-20(19(26)10-14)13(2)24-21(22)25-18/h3-8,11,14H,9-10H2,1-2H3,(H2,22,24,25)
InChIKeyQKGKYKMQGJYFIE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.65
Rot. Bonds2

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

2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210237) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210237
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1
InChIInChI=1S/C21H20N4O/c1-12-7-8-17(23-11-12)16-6-4-3-5-15(16)14-9-18-20(19(26)10-14)13(2)24-21(22)25-18/h3-8,11,14H,9-10H2,1-2H3,(H2,22,24,25)
InChIKeyQKGKYKMQGJYFIE-UHFFFAOYSA-N
XLogP3.65
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 71210237) is 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1.
What is the InChIKey of 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QKGKYKMQGJYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-12-7-8-17(23-11-12)16-6-4-3-5-15(16)14-9-18-20(19(26)10-14)13(2)24-21(22)25-18/h3-8,11,14H,9-10H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 344.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).