7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one

C14H14N4O — CID 57388977

IUPAC7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3cccnc3)nc2C1
InChIInChI=1S/C14H14N4O/c1-9-5-12-11(13(19)6-9)8-16-14(18-12)17-10-3-2-4-15-7-10/h2-4,7-9H,5-6H2,1H3,(H,16,17,18)
InChIKeyREIYMZFWJQHMGV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds2

About 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57388977) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57388977
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3cccnc3)nc2C1
InChIInChI=1S/C14H14N4O/c1-9-5-12-11(13(19)6-9)8-16-14(18-12)17-10-3-2-4-15-7-10/h2-4,7-9H,5-6H2,1H3,(H,16,17,18)
InChIKeyREIYMZFWJQHMGV-UHFFFAOYSA-N
XLogP2.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 57388977) is 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(Nc3cccnc3)nc2C1.
What is the InChIKey of 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is REIYMZFWJQHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-5-12-11(13(19)6-9)8-16-14(18-12)17-10-3-2-4-15-7-10/h2-4,7-9H,5-6H2,1H3,(H,16,17,18).
What are the key properties of 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 254.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57388977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).