4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol

C28H24BrN5O — CID 3771621

IUPAC4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(c2nc(Nc3ccc4ncccc4c3)c3ccccc3n2)CC1
InChIInChI=1S/C28H24BrN5O/c29-21-9-7-20(8-10-21)28(35)13-16-34(17-14-28)27-32-25-6-2-1-5-23(25)26(33-27)31-22-11-12-24-19(18-22)4-3-15-30-24/h1-12,15,18,35H,13-14,16-17H2,(H,31,32,33)
InChIKeyRYFBINAUCSXZOS-UHFFFAOYSA-N
MW526.44 g/mol
LogP6.17
Rot. Bonds4

About 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol

4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol (PubChem CID 3771621) has the molecular formula C28H24BrN5O and a molecular weight of 526.44 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol
PubChem CID3771621
Molecular FormulaC28H24BrN5O
Molecular Weight526.44 g/mol
Exact Mass525.12
IUPAC Name4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(c2nc(Nc3ccc4ncccc4c3)c3ccccc3n2)CC1
InChIInChI=1S/C28H24BrN5O/c29-21-9-7-20(8-10-21)28(35)13-16-34(17-14-28)27-32-25-6-2-1-5-23(25)26(33-27)31-22-11-12-24-19(18-22)4-3-15-30-24/h1-12,15,18,35H,13-14,16-17H2,(H,31,32,33)
InChIKeyRYFBINAUCSXZOS-UHFFFAOYSA-N
XLogP6.17
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol (CID 3771621) is 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol is OC1(c2ccc(Br)cc2)CCN(c2nc(Nc3ccc4ncccc4c3)c3ccccc3n2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol?
The InChIKey is RYFBINAUCSXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrN5O/c29-21-9-7-20(8-10-21)28(35)13-16-34(17-14-28)27-32-25-6-2-1-5-23(25)26(33-27)31-22-11-12-24-19(18-22)4-3-15-30-24/h1-12,15,18,35H,13-14,16-17H2,(H,31,32,33).
What are the key properties of 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol?
4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol has a molecular weight of 526.44 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[4-(quinolin-6-ylamino)quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 3771621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).