methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C28H32N6O2 — CID 157494282

IUPACmethane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESC.COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)C(C)(C)C5)c4)c3c2)cn1
InChIInChI=1S/C27H28N6O2.CH4/c1-27(2)16-33(11-10-32(27)3)25(34)20-7-5-6-19(12-20)24-22-13-18(8-9-23(22)30-17-31-24)21-14-28-26(35-4)29-15-21;/h5-9,12-15,17H,10-11,16H2,1-4H3;1H4
InChIKeyBXQHEOVNFZXLBO-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.56
Rot. Bonds4

About methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 157494282) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namemethane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID157494282
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Namemethane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESC.COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)C(C)(C)C5)c4)c3c2)cn1
InChIInChI=1S/C27H28N6O2.CH4/c1-27(2)16-33(11-10-32(27)3)25(34)20-7-5-6-19(12-20)24-22-13-18(8-9-23(22)30-17-31-24)21-14-28-26(35-4)29-15-21;/h5-9,12-15,17H,10-11,16H2,1-4H3;1H4
InChIKeyBXQHEOVNFZXLBO-UHFFFAOYSA-N
XLogP4.56
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone
CID 123471694
[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 78107764
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
(3-ethylpiperazin-1-yl)-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]methanone
CID 123637401
(2,2-dimethylmorpholin-4-yl)-[5-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]methanone
CID 71548874
1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
CID 123479114
[3-(6-bromoquinazolin-4-yl)phenyl]-[(3R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methylpiperazin-1-yl]methanone
CID 163444041
(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418
(6-chloro-3-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63635890
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917

Frequently Asked Questions

What is the IUPAC name of methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 157494282) is methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is C.COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)C(C)(C)C5)c4)c3c2)cn1.
What is the InChIKey of methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is BXQHEOVNFZXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.CH4/c1-27(2)16-33(11-10-32(27)3)25(34)20-7-5-6-19(12-20)24-22-13-18(8-9-23(22)30-17-31-24)21-14-28-26(35-4)29-15-21;/h5-9,12-15,17H,10-11,16H2,1-4H3;1H4.
What are the key properties of methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 484.60 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 157494282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).