[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol

C20H19N3O2S — CID 44968230

IUPAC[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(CO)o3)cc12
InChIInChI=1S/C20H19N3O2S/c1-13-7-8-26-19(13)10-23(2)20-16-9-14(3-5-17(16)21-12-22-20)18-6-4-15(11-24)25-18/h3-9,12,24H,10-11H2,1-2H3
InChIKeyHWDFAHKJNADKKP-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.39
Rot. Bonds5

About [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol

[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 44968230) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol
PubChem CID44968230
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(CO)o3)cc12
InChIInChI=1S/C20H19N3O2S/c1-13-7-8-26-19(13)10-23(2)20-16-9-14(3-5-17(16)21-12-22-20)18-6-4-15(11-24)25-18/h3-9,12,24H,10-11H2,1-2H3
InChIKeyHWDFAHKJNADKKP-UHFFFAOYSA-N
XLogP4.39
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol (CID 44968230) is [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol is Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(CO)o3)cc12.
What is the InChIKey of [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is HWDFAHKJNADKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-7-8-26-19(13)10-23(2)20-16-9-14(3-5-17(16)21-12-22-20)18-6-4-15(11-24)25-18/h3-9,12,24H,10-11H2,1-2H3.
What are the key properties of [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 365.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 44968230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).