1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol

C18H21N3OS — CID 133313174

IUPAC1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H21N3OS/c1-4-21(12-18(2,3)22)17-13-8-5-6-9-14(13)19-16(20-17)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3
InChIKeyAFUQRUPMLXRYGY-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.96
Rot. Bonds5

About 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol

1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 133313174) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID133313174
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H21N3OS/c1-4-21(12-18(2,3)22)17-13-8-5-6-9-14(13)19-16(20-17)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3
InChIKeyAFUQRUPMLXRYGY-UHFFFAOYSA-N
XLogP3.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol (CID 133313174) is 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is AFUQRUPMLXRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-4-21(12-18(2,3)22)17-13-8-5-6-9-14(13)19-16(20-17)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3.
What are the key properties of 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol?
1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 327.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 133313174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).