N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C23H19N5O2 — CID 53090540

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(N(C)Cc4ccco4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C23H19N5O2/c1-15-9-11-16(12-10-15)22-26-27-23(30-22)20-24-19-8-4-3-7-18(19)21(25-20)28(2)14-17-6-5-13-29-17/h3-13H,14H2,1-2H3
InChIKeyLYXVEHJLJYPMGX-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.88
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53090540) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53090540
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(N(C)Cc4ccco4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C23H19N5O2/c1-15-9-11-16(12-10-15)22-26-27-23(30-22)20-24-19-8-4-3-7-18(19)21(25-20)28(2)14-17-6-5-13-29-17/h3-13H,14H2,1-2H3
InChIKeyLYXVEHJLJYPMGX-UHFFFAOYSA-N
XLogP4.88
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53090540) is N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is Cc1ccc(-c2nnc(-c3nc(N(C)Cc4ccco4)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is LYXVEHJLJYPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15-9-11-16(12-10-15)22-26-27-23(30-22)20-24-19-8-4-3-7-18(19)21(25-20)28(2)14-17-6-5-13-29-17/h3-13H,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 397.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53090540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).