2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline

C29H36N4O2 — CID 118610386

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1
InChIInChI=1S/C29H36N4O2/c1-34-23-13-17-32(18-14-23)22-9-10-26-25(19-22)29(31-28(30-26)21-7-8-21)33-15-11-20(12-16-33)24-5-3-4-6-27(24)35-2/h3-6,9-10,19-21,23H,7-8,11-18H2,1-2H3
InChIKeyOYPGNTLBOHWGNH-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.51
Rot. Bonds6

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline (PubChem CID 118610386) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline
PubChem CID118610386
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1
InChIInChI=1S/C29H36N4O2/c1-34-23-13-17-32(18-14-23)22-9-10-26-25(19-22)29(31-28(30-26)21-7-8-21)33-15-11-20(12-16-33)24-5-3-4-6-27(24)35-2/h3-6,9-10,19-21,23H,7-8,11-18H2,1-2H3
InChIKeyOYPGNTLBOHWGNH-UHFFFAOYSA-N
XLogP5.51
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline (CID 118610386) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline?
The InChIKey is OYPGNTLBOHWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-34-23-13-17-32(18-14-23)22-9-10-26-25(19-22)29(31-28(30-26)21-7-8-21)33-15-11-20(12-16-33)24-5-3-4-6-27(24)35-2/h3-6,9-10,19-21,23H,7-8,11-18H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline has a molecular weight of 472.63 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methoxypiperidin-1-yl)quinazoline is sourced from PubChem (CID 118610386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).