6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one

C15H20N4O2 — CID 136762071

IUPAC6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESCC(O)C1CCN(c2cc3nc[nH]c(=O)c3cc2N)CC1
InChIInChI=1S/C15H20N4O2/c1-9(20)10-2-4-19(5-3-10)14-7-13-11(6-12(14)16)15(21)18-8-17-13/h6-10,20H,2-5,16H2,1H3,(H,17,18,21)
InChIKeyYSFRSWNWRDSMCS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.10
Rot. Bonds2

About 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one

6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one (PubChem CID 136762071) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one
PubChem CID136762071
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESCC(O)C1CCN(c2cc3nc[nH]c(=O)c3cc2N)CC1
InChIInChI=1S/C15H20N4O2/c1-9(20)10-2-4-19(5-3-10)14-7-13-11(6-12(14)16)15(21)18-8-17-13/h6-10,20H,2-5,16H2,1H3,(H,17,18,21)
InChIKeyYSFRSWNWRDSMCS-UHFFFAOYSA-N
XLogP1.10
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one (CID 136762071) is 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one is CC(O)C1CCN(c2cc3nc[nH]c(=O)c3cc2N)CC1.
What is the InChIKey of 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is YSFRSWNWRDSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(20)10-2-4-19(5-3-10)14-7-13-11(6-12(14)16)15(21)18-8-17-13/h6-10,20H,2-5,16H2,1H3,(H,17,18,21).
What are the key properties of 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one?
6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[4-(1-hydroxyethyl)piperidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136762071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).