4,6,7-trimethoxy-5-piperidin-4-ylquinazoline

C16H21N3O3 — CID 90996911

IUPAC4,6,7-trimethoxy-5-piperidin-4-ylquinazoline
SMILESCOc1cc2ncnc(OC)c2c(C2CCNCC2)c1OC
InChIInChI=1S/C16H21N3O3/c1-20-12-8-11-14(16(22-3)19-9-18-11)13(15(12)21-2)10-4-6-17-7-5-10/h8-10,17H,4-7H2,1-3H3
InChIKeyCQRQCEPZSDUPFP-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.12
Rot. Bonds4

About 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline

4,6,7-trimethoxy-5-piperidin-4-ylquinazoline (PubChem CID 90996911) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline.

Molecular Properties

Compound Name4,6,7-trimethoxy-5-piperidin-4-ylquinazoline
PubChem CID90996911
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4,6,7-trimethoxy-5-piperidin-4-ylquinazoline
SMILESCOc1cc2ncnc(OC)c2c(C2CCNCC2)c1OC
InChIInChI=1S/C16H21N3O3/c1-20-12-8-11-14(16(22-3)19-9-18-11)13(15(12)21-2)10-4-6-17-7-5-10/h8-10,17H,4-7H2,1-3H3
InChIKeyCQRQCEPZSDUPFP-UHFFFAOYSA-N
XLogP2.12
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline?
The IUPAC name of 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline (CID 90996911) is 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline.
What is the SMILES notation for 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline?
The canonical SMILES for 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline is COc1cc2ncnc(OC)c2c(C2CCNCC2)c1OC.
What is the InChIKey of 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline?
The InChIKey is CQRQCEPZSDUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-20-12-8-11-14(16(22-3)19-9-18-11)13(15(12)21-2)10-4-6-17-7-5-10/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline?
4,6,7-trimethoxy-5-piperidin-4-ylquinazoline has a molecular weight of 303.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-5-piperidin-4-ylquinazoline is sourced from PubChem (CID 90996911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).