2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C19H15ClFN5O — CID 87838008

IUPAC2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccc(F)cc1-c1cncc(Cl)n1)C2
InChIInChI=1S/C19H15ClFN5O/c1-9-18-14(26-19(22)24-9)4-10(5-16(18)27)12-3-2-11(21)6-13(12)15-7-23-8-17(20)25-15/h2-3,6-8,10H,4-5H2,1H3,(H2,22,24,26)
InChIKeyRMYNOTMGUIOAKR-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.53
Rot. Bonds2

About 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 87838008) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID87838008
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccc(F)cc1-c1cncc(Cl)n1)C2
InChIInChI=1S/C19H15ClFN5O/c1-9-18-14(26-19(22)24-9)4-10(5-16(18)27)12-3-2-11(21)6-13(12)15-7-23-8-17(20)25-15/h2-3,6-8,10H,4-5H2,1H3,(H2,22,24,26)
InChIKeyRMYNOTMGUIOAKR-UHFFFAOYSA-N
XLogP3.53
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.53
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-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 87838008) is 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1ccc(F)cc1-c1cncc(Cl)n1)C2.
What is the InChIKey of 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is RMYNOTMGUIOAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-9-18-14(26-19(22)24-9)4-10(5-16(18)27)12-3-2-11(21)6-13(12)15-7-23-8-17(20)25-15/h2-3,6-8,10H,4-5H2,1H3,(H2,22,24,26).
What are the key properties of 2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 383.81 g/mol, XLogP of 3.53, 2 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-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 87838008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).