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

C21H19ClN4O2 — CID 69449507

IUPAC2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2cc(Cl)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C21H19ClN4O2/c1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2/h3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26)
InChIKeyYFCKFYJYLSURTO-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.00
Rot. Bonds3

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

2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69449507) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69449507
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2cc(Cl)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C21H19ClN4O2/c1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2/h3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26)
InChIKeyYFCKFYJYLSURTO-UHFFFAOYSA-N
XLogP4.00
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69449507) is 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(-c2cc(Cl)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1.
What is the InChIKey of 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YFCKFYJYLSURTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2/h3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26).
What are the key properties of 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 394.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69449507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).