4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline

C26H33N5O — CID 42171485

IUPAC4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline
SMILESCc1cc2nc(N3CCC(N4CCC(Oc5cccnc5)CC4)CC3)nc(C)c2cc1C
InChIInChI=1S/C26H33N5O/c1-18-15-24-20(3)28-26(29-25(24)16-19(18)2)31-11-6-21(7-12-31)30-13-8-22(9-14-30)32-23-5-4-10-27-17-23/h4-5,10,15-17,21-22H,6-9,11-14H2,1-3H3
InChIKeyNMRXNBAUZUCDFD-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.46
Rot. Bonds4

About 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline

4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline (PubChem CID 42171485) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline
PubChem CID42171485
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline
SMILESCc1cc2nc(N3CCC(N4CCC(Oc5cccnc5)CC4)CC3)nc(C)c2cc1C
InChIInChI=1S/C26H33N5O/c1-18-15-24-20(3)28-26(29-25(24)16-19(18)2)31-11-6-21(7-12-31)30-13-8-22(9-14-30)32-23-5-4-10-27-17-23/h4-5,10,15-17,21-22H,6-9,11-14H2,1-3H3
InChIKeyNMRXNBAUZUCDFD-UHFFFAOYSA-N
XLogP4.46
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline?
The IUPAC name of 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline (CID 42171485) is 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline?
The canonical SMILES for 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline is Cc1cc2nc(N3CCC(N4CCC(Oc5cccnc5)CC4)CC3)nc(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline?
The InChIKey is NMRXNBAUZUCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-18-15-24-20(3)28-26(29-25(24)16-19(18)2)31-11-6-21(7-12-31)30-13-8-22(9-14-30)32-23-5-4-10-27-17-23/h4-5,10,15-17,21-22H,6-9,11-14H2,1-3H3.
What are the key properties of 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline?
4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline has a molecular weight of 431.58 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-2-[4-(4-pyridin-3-yloxypiperidin-1-yl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 42171485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).