6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine

C16H17N3O2 — CID 67061404

IUPAC6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
SMILESCOc1cc2nc(NC(C)C)ncc2cc1-c1ccco1
InChIInChI=1S/C16H17N3O2/c1-10(2)18-16-17-9-11-7-12(14-5-4-6-21-14)15(20-3)8-13(11)19-16/h4-10H,1-3H3,(H,17,18,19)
InChIKeyDSBXEHVUPFOVRQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.72
Rot. Bonds4

About 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine

6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine (PubChem CID 67061404) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
PubChem CID67061404
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
SMILESCOc1cc2nc(NC(C)C)ncc2cc1-c1ccco1
InChIInChI=1S/C16H17N3O2/c1-10(2)18-16-17-9-11-7-12(14-5-4-6-21-14)15(20-3)8-13(11)19-16/h4-10H,1-3H3,(H,17,18,19)
InChIKeyDSBXEHVUPFOVRQ-UHFFFAOYSA-N
XLogP3.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine?
The IUPAC name of 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine (CID 67061404) is 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine is COc1cc2nc(NC(C)C)ncc2cc1-c1ccco1.
What is the InChIKey of 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine?
The InChIKey is DSBXEHVUPFOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(2)18-16-17-9-11-7-12(14-5-4-6-21-14)15(20-3)8-13(11)19-16/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine?
6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 67061404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).