N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine

C30H32N4O2 — CID 122648761

IUPACN-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12
InChIInChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34)
InChIKeyOFCHHTJHUMIZRM-UHFFFAOYSA-N
MW480.61 g/mol
LogP6.23
Rot. Bonds5

About N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine

N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine (PubChem CID 122648761) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
PubChem CID122648761
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12
InChIInChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34)
InChIKeyOFCHHTJHUMIZRM-UHFFFAOYSA-N
XLogP6.23
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The IUPAC name of N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine (CID 122648761) is N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The canonical SMILES for N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine is COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.
What is the InChIKey of N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The InChIKey is OFCHHTJHUMIZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34).
What are the key properties of N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine has a molecular weight of 480.61 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 122648761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).