1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol

C28H34N4O2 — CID 118610404

IUPAC1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1
InChIInChI=1S/C28H34N4O2/c1-34-26-5-3-2-4-23(26)19-10-14-32(15-11-19)28-24-18-21(31-16-12-22(33)13-17-31)8-9-25(24)29-27(30-28)20-6-7-20/h2-5,8-9,18-20,22,33H,6-7,10-17H2,1H3
InChIKeyKQOJNRJDNGMXQW-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.86
Rot. Bonds5

About 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol

1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol (PubChem CID 118610404) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol
PubChem CID118610404
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1
InChIInChI=1S/C28H34N4O2/c1-34-26-5-3-2-4-23(26)19-10-14-32(15-11-19)28-24-18-21(31-16-12-22(33)13-17-31)8-9-25(24)29-27(30-28)20-6-7-20/h2-5,8-9,18-20,22,33H,6-7,10-17H2,1H3
InChIKeyKQOJNRJDNGMXQW-UHFFFAOYSA-N
XLogP4.86
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol (CID 118610404) is 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1.
What is the InChIKey of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol?
The InChIKey is KQOJNRJDNGMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-34-26-5-3-2-4-23(26)19-10-14-32(15-11-19)28-24-18-21(31-16-12-22(33)13-17-31)8-9-25(24)29-27(30-28)20-6-7-20/h2-5,8-9,18-20,22,33H,6-7,10-17H2,1H3.
What are the key properties of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol?
1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol has a molecular weight of 458.61 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol is sourced from PubChem (CID 118610404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).