furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone

C28H31N5O3 — CID 45166911

IUPACfuran-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(C)N(C)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H31N5O3/c1-20(21-10-12-22(35-3)13-11-21)31(2)19-26-29-24-8-5-4-7-23(24)27(30-26)32-14-16-33(17-15-32)28(34)25-9-6-18-36-25/h4-13,18,20H,14-17,19H2,1-3H3
InChIKeyDHFXQCPRNCNPDO-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.39
Rot. Bonds7

About furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone (PubChem CID 45166911) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone
PubChem CID45166911
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Namefuran-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(C)N(C)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H31N5O3/c1-20(21-10-12-22(35-3)13-11-21)31(2)19-26-29-24-8-5-4-7-23(24)27(30-26)32-14-16-33(17-15-32)28(34)25-9-6-18-36-25/h4-13,18,20H,14-17,19H2,1-3H3
InChIKeyDHFXQCPRNCNPDO-UHFFFAOYSA-N
XLogP4.39
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone (CID 45166911) is furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone is COc1ccc(C(C)N(C)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is DHFXQCPRNCNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-20(21-10-12-22(35-3)13-11-21)31(2)19-26-29-24-8-5-4-7-23(24)27(30-26)32-14-16-33(17-15-32)28(34)25-9-6-18-36-25/h4-13,18,20H,14-17,19H2,1-3H3.
What are the key properties of furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]quinazolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 45166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).