7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine

C13H14N4O2 — CID 123410295

IUPAC7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(N)nc2c1C(N=O)CC(c1ccco1)C2
InChIInChI=1S/C13H14N4O2/c1-7-12-9(16-13(14)15-7)5-8(6-10(12)17-18)11-3-2-4-19-11/h2-4,8,10H,5-6H2,1H3,(H2,14,15,16)
InChIKeyOVLQLSGUCMTLPZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.50
Rot. Bonds2

About 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine

7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 123410295) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID123410295
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(N)nc2c1C(N=O)CC(c1ccco1)C2
InChIInChI=1S/C13H14N4O2/c1-7-12-9(16-13(14)15-7)5-8(6-10(12)17-18)11-3-2-4-19-11/h2-4,8,10H,5-6H2,1H3,(H2,14,15,16)
InChIKeyOVLQLSGUCMTLPZ-UHFFFAOYSA-N
XLogP2.50
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine (CID 123410295) is 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine is Cc1nc(N)nc2c1C(N=O)CC(c1ccco1)C2.
What is the InChIKey of 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is OVLQLSGUCMTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7-12-9(16-13(14)15-7)5-8(6-10(12)17-18)11-3-2-4-19-11/h2-4,8,10H,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine?
7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 123410295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).