[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol

C22H26N4O2 — CID 137477559

IUPAC[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(CNc2nc(N3CCCCC3CO)nc3ccccc23)cc1
InChIInChI=1S/C22H26N4O2/c1-28-18-11-9-16(10-12-18)14-23-21-19-7-2-3-8-20(19)24-22(25-21)26-13-5-4-6-17(26)15-27/h2-3,7-12,17,27H,4-6,13-15H2,1H3,(H,23,24,25)
InChIKeyLIVKGIJCKAQZRN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.60
Rot. Bonds6

About [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 137477559) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID137477559
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(CNc2nc(N3CCCCC3CO)nc3ccccc23)cc1
InChIInChI=1S/C22H26N4O2/c1-28-18-11-9-16(10-12-18)14-23-21-19-7-2-3-8-20(19)24-22(25-21)26-13-5-4-6-17(26)15-27/h2-3,7-12,17,27H,4-6,13-15H2,1H3,(H,23,24,25)
InChIKeyLIVKGIJCKAQZRN-UHFFFAOYSA-N
XLogP3.60
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 137477559) is [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol is COc1ccc(CNc2nc(N3CCCCC3CO)nc3ccccc23)cc1.
What is the InChIKey of [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is LIVKGIJCKAQZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-18-11-9-16(10-12-18)14-23-21-19-7-2-3-8-20(19)24-22(25-21)26-13-5-4-6-17(26)15-27/h2-3,7-12,17,27H,4-6,13-15H2,1H3,(H,23,24,25).
What are the key properties of [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 378.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 137477559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).