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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Related Compounds

6-amino-7-(2-methylthiomorpholin-4-yl)-3H-quinazolin-4-one
CID 136991375
7-[3-(1-hydroxyethyl)piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137268711
7-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-4H-1,4-benzoxazin-3-one
CID 106835369
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
CID 136746805
7-[4-(2-methylphenyl)piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137268162
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853

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).