[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

C27H25N5O2 — CID 78107764

IUPAC[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CC6CC5CN6C)c4)c3c2)cn1
InChIInChI=1S/C27H25N5O2/c1-31-14-22-12-21(31)15-32(22)27(33)19-5-3-4-18(10-19)26-23-11-17(6-8-24(23)29-16-30-26)20-7-9-25(34-2)28-13-20/h3-11,13,16,21-22H,12,14-15H2,1-2H3
InChIKeyRYOQXPHUQMMKMC-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.90
Rot. Bonds4

About [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 78107764) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID78107764
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CC6CC5CN6C)c4)c3c2)cn1
InChIInChI=1S/C27H25N5O2/c1-31-14-22-12-21(31)15-32(22)27(33)19-5-3-4-18(10-19)26-23-11-17(6-8-24(23)29-16-30-26)20-7-9-25(34-2)28-13-20/h3-11,13,16,21-22H,12,14-15H2,1-2H3
InChIKeyRYOQXPHUQMMKMC-UHFFFAOYSA-N
XLogP3.90
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone with MolForge

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Related Compounds

[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone
CID 123471694
methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 157494282
2-methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]benzamide
CID 163497559
1-[4-[3-[6-(6-methoxy-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71550829
(3-ethylpiperazin-1-yl)-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]methanone
CID 123637401
1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
CID 123479114
4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
CID 175876083
2-methoxy-5-[4-[3-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]quinazolin-6-yl]pyridine-3-carbonitrile
CID 123570935
(2S)-2-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 175431206
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919

Frequently Asked Questions

What is the IUPAC name of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (CID 78107764) is [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CC6CC5CN6C)c4)c3c2)cn1.
What is the InChIKey of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is RYOQXPHUQMMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-31-14-22-12-21(31)15-32(22)27(33)19-5-3-4-18(10-19)26-23-11-17(6-8-24(23)29-16-30-26)20-7-9-25(34-2)28-13-20/h3-11,13,16,21-22H,12,14-15H2,1-2H3.
What are the key properties of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 451.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 78107764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).