1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

C16H16ClN3O2 — CID 133353209

IUPAC1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ncnc3cc(Cl)ccc23)o1
InChIInChI=1S/C16H16ClN3O2/c1-10-3-6-14(22-10)16(2,21)8-18-15-12-5-4-11(17)7-13(12)19-9-20-15/h3-7,9,21H,8H2,1-2H3,(H,18,19,20)
InChIKeyWRQXCLBFJCRTNQ-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.50
Rot. Bonds4

About 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 133353209) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID133353209
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ncnc3cc(Cl)ccc23)o1
InChIInChI=1S/C16H16ClN3O2/c1-10-3-6-14(22-10)16(2,21)8-18-15-12-5-4-11(17)7-13(12)19-9-20-15/h3-7,9,21H,8H2,1-2H3,(H,18,19,20)
InChIKeyWRQXCLBFJCRTNQ-UHFFFAOYSA-N
XLogP3.50
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 133353209) is 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CNc2ncnc3cc(Cl)ccc23)o1.
What is the InChIKey of 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is WRQXCLBFJCRTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-10-3-6-14(22-10)16(2,21)8-18-15-12-5-4-11(17)7-13(12)19-9-20-15/h3-7,9,21H,8H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 317.78 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 133353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).