4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one

C14H19N3O — CID 110277640

IUPAC4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one
SMILESCC1CCCN(C2=NC(=O)NC3C=CC=CC23)C1
InChIInChI=1S/C14H19N3O/c1-10-5-4-8-17(9-10)13-11-6-2-3-7-12(11)15-14(18)16-13/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyDCQKCMDMSMQTOW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.95
Rot. Bonds

About 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one

4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one (PubChem CID 110277640) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one
PubChem CID110277640
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one
SMILESCC1CCCN(C2=NC(=O)NC3C=CC=CC23)C1
InChIInChI=1S/C14H19N3O/c1-10-5-4-8-17(9-10)13-11-6-2-3-7-12(11)15-14(18)16-13/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyDCQKCMDMSMQTOW-UHFFFAOYSA-N
XLogP1.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one (CID 110277640) is 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one is CC1CCCN(C2=NC(=O)NC3C=CC=CC23)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one?
The InChIKey is DCQKCMDMSMQTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-4-8-17(9-10)13-11-6-2-3-7-12(11)15-14(18)16-13/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,15,18).
What are the key properties of 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one?
4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-4a,8a-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 110277640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).