5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one

C14H20N4O — CID 172598819

IUPAC5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
SMILESCN1CCC(N2C(=O)NCc3c(N)cccc32)CC1
InChIInChI=1S/C14H20N4O/c1-17-7-5-10(6-8-17)18-13-4-2-3-12(15)11(13)9-16-14(18)19/h2-4,10H,5-9,15H2,1H3,(H,16,19)
InChIKeySXGPNTZIVHNWPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.39
Rot. Bonds1

About 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one

5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one (PubChem CID 172598819) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
PubChem CID172598819
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
SMILESCN1CCC(N2C(=O)NCc3c(N)cccc32)CC1
InChIInChI=1S/C14H20N4O/c1-17-7-5-10(6-8-17)18-13-4-2-3-12(15)11(13)9-16-14(18)19/h2-4,10H,5-9,15H2,1H3,(H,16,19)
InChIKeySXGPNTZIVHNWPN-UHFFFAOYSA-N
XLogP1.39
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one?
The IUPAC name of 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one (CID 172598819) is 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one is CN1CCC(N2C(=O)NCc3c(N)cccc32)CC1.
What is the InChIKey of 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one?
The InChIKey is SXGPNTZIVHNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17-7-5-10(6-8-17)18-13-4-2-3-12(15)11(13)9-16-14(18)19/h2-4,10H,5-9,15H2,1H3,(H,16,19).
What are the key properties of 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one?
5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 172598819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).