4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol

C20H24N4O — CID 44532492

IUPAC4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol
SMILESCC(C)CCNc1nc(NCc2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C20H24N4O/c1-14(2)10-11-21-20-23-18-9-8-16(25)12-17(18)19(24-20)22-13-15-6-4-3-5-7-15/h3-9,12,14,25H,10-11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyLBIDZJOTXDODII-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds7

About 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol

4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol (PubChem CID 44532492) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol.

Molecular Properties

Compound Name4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol
PubChem CID44532492
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol
SMILESCC(C)CCNc1nc(NCc2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C20H24N4O/c1-14(2)10-11-21-20-23-18-9-8-16(25)12-17(18)19(24-20)22-13-15-6-4-3-5-7-15/h3-9,12,14,25H,10-11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyLBIDZJOTXDODII-UHFFFAOYSA-N
XLogP4.41
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol?
The IUPAC name of 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol (CID 44532492) is 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol.
What is the SMILES notation for 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol?
The canonical SMILES for 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol is CC(C)CCNc1nc(NCc2ccccc2)c2cc(O)ccc2n1.
What is the InChIKey of 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol?
The InChIKey is LBIDZJOTXDODII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(2)10-11-21-20-23-18-9-8-16(25)12-17(18)19(24-20)22-13-15-6-4-3-5-7-15/h3-9,12,14,25H,10-11,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol?
4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol has a molecular weight of 336.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-(3-methylbutylamino)quinazolin-6-ol is sourced from PubChem (CID 44532492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).