2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol

C16H23N5O2 — CID 137222694

IUPAC2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol
SMILESCOc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1O
InChIInChI=1S/C16H23N5O2/c1-19(2)16-17-12-10-13(22)14(23-4)9-11(12)15(18-16)21-7-5-20(3)6-8-21/h9-10,22H,5-8H2,1-4H3
InChIKeyVBKFEDGYLQPBJH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.16
Rot. Bonds3

About 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol

2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol (PubChem CID 137222694) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol.

Molecular Properties

Compound Name2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol
PubChem CID137222694
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol
SMILESCOc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1O
InChIInChI=1S/C16H23N5O2/c1-19(2)16-17-12-10-13(22)14(23-4)9-11(12)15(18-16)21-7-5-20(3)6-8-21/h9-10,22H,5-8H2,1-4H3
InChIKeyVBKFEDGYLQPBJH-UHFFFAOYSA-N
XLogP1.16
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol?
The IUPAC name of 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol (CID 137222694) is 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol.
What is the SMILES notation for 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol?
The canonical SMILES for 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol is COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1O.
What is the InChIKey of 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol?
The InChIKey is VBKFEDGYLQPBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-19(2)16-17-12-10-13(22)14(23-4)9-11(12)15(18-16)21-7-5-20(3)6-8-21/h9-10,22H,5-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol?
2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol has a molecular weight of 317.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol is sourced from PubChem (CID 137222694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).