[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol

C26H39N5O4 — CID 44581084

IUPAC[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCOc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NC3CCOCC3)c2cc1OC
InChIInChI=1S/C26H39N5O4/c1-33-23-14-21-22(15-24(23)34-2)28-26(29-25(21)27-19-7-12-35-13-8-19)30-10-5-20(6-11-30)31-9-3-4-18(16-31)17-32/h14-15,18-20,32H,3-13,16-17H2,1-2H3,(H,27,28,29)
InChIKeySQADKUHVMRALTB-UHFFFAOYSA-N
MW485.63 g/mol
LogP2.91
Rot. Bonds7

About [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol

[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 44581084) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID44581084
Molecular FormulaC26H39N5O4
Molecular Weight485.63 g/mol
Exact Mass485.30
IUPAC Name[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCOc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NC3CCOCC3)c2cc1OC
InChIInChI=1S/C26H39N5O4/c1-33-23-14-21-22(15-24(23)34-2)28-26(29-25(21)27-19-7-12-35-13-8-19)30-10-5-20(6-11-30)31-9-3-4-18(16-31)17-32/h14-15,18-20,32H,3-13,16-17H2,1-2H3,(H,27,28,29)
InChIKeySQADKUHVMRALTB-UHFFFAOYSA-N
XLogP2.91
TPSA92.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol (CID 44581084) is [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol is COc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NC3CCOCC3)c2cc1OC.
What is the InChIKey of [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is SQADKUHVMRALTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-33-23-14-21-22(15-24(23)34-2)28-26(29-25(21)27-19-7-12-35-13-8-19)30-10-5-20(6-11-30)31-9-3-4-18(16-31)17-32/h14-15,18-20,32H,3-13,16-17H2,1-2H3,(H,27,28,29).
What are the key properties of [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol?
[1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 485.63 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[6,7-dimethoxy-4-(oxan-4-ylamino)quinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 44581084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).