[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone

C27H32ClN5O2 — CID 91001590

IUPAC[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3ncc4c(OC5CCN(C)CC5)cccc4n3)cc2Cl)CC1
InChIInChI=1S/C27H32ClN5O2/c1-18-8-14-33(15-9-18)26(34)21-7-6-19(16-23(21)28)30-27-29-17-22-24(31-27)4-3-5-25(22)35-20-10-12-32(2)13-11-20/h3-7,16-18,20H,8-15H2,1-2H3,(H,29,30,31)
InChIKeyCGMVVFNIYYNLEN-UHFFFAOYSA-N
MW494.04 g/mol
LogP5.37
Rot. Bonds5

About [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone

[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 91001590) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID91001590
Molecular FormulaC27H32ClN5O2
Molecular Weight494.04 g/mol
Exact Mass493.22
IUPAC Name[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3ncc4c(OC5CCN(C)CC5)cccc4n3)cc2Cl)CC1
InChIInChI=1S/C27H32ClN5O2/c1-18-8-14-33(15-9-18)26(34)21-7-6-19(16-23(21)28)30-27-29-17-22-24(31-27)4-3-5-25(22)35-20-10-12-32(2)13-11-20/h3-7,16-18,20H,8-15H2,1-2H3,(H,29,30,31)
InChIKeyCGMVVFNIYYNLEN-UHFFFAOYSA-N
XLogP5.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]benzoic acid
CID 91317630
2-chloro-4-[(5-chloro-8-piperidin-4-yloxyquinazolin-2-yl)amino]benzoic acid
CID 59199229
azepan-1-yl-[2-chloro-4-[[7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]amino]phenyl]methanone;hydrochloride
CID 68889068
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 175961168
[2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250754
azepan-1-yl-[2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]amino]phenyl]methanone
CID 86596659
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
CID 90941517
[2-chloro-4-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67144067
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
4-amino-3-(2,6-dichlorophenyl)-7-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455452

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 91001590) is [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Nc3ncc4c(OC5CCN(C)CC5)cccc4n3)cc2Cl)CC1.
What is the InChIKey of [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CGMVVFNIYYNLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c1-18-8-14-33(15-9-18)26(34)21-7-6-19(16-23(21)28)30-27-29-17-22-24(31-27)4-3-5-25(22)35-20-10-12-32(2)13-11-20/h3-7,16-18,20H,8-15H2,1-2H3,(H,29,30,31).
What are the key properties of [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 494.04 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91001590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).