2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol

C27H34ClN5O — CID 157203727

IUPAC2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(C(C)Nc2nc(N3CC(C4CCCN(CCO)C4)C3)nc3ccccc23)c(Cl)c1
InChIInChI=1S/C27H34ClN5O/c1-18-9-10-22(24(28)14-18)19(2)29-26-23-7-3-4-8-25(23)30-27(31-26)33-16-21(17-33)20-6-5-11-32(15-20)12-13-34/h3-4,7-10,14,19-21,34H,5-6,11-13,15-17H2,1-2H3,(H,29,30,31)
InChIKeyQZQXXHSWGWPHFX-UHFFFAOYSA-N
MW480.06 g/mol
LogP4.91
Rot. Bonds7

About 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol

2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol (PubChem CID 157203727) has the molecular formula C27H34ClN5O and a molecular weight of 480.06 g/mol. Its IUPAC name is 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
PubChem CID157203727
Molecular FormulaC27H34ClN5O
Molecular Weight480.06 g/mol
Exact Mass479.25
IUPAC Name2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(C(C)Nc2nc(N3CC(C4CCCN(CCO)C4)C3)nc3ccccc23)c(Cl)c1
InChIInChI=1S/C27H34ClN5O/c1-18-9-10-22(24(28)14-18)19(2)29-26-23-7-3-4-8-25(23)30-27(31-26)33-16-21(17-33)20-6-5-11-32(15-20)12-13-34/h3-4,7-10,14,19-21,34H,5-6,11-13,15-17H2,1-2H3,(H,29,30,31)
InChIKeyQZQXXHSWGWPHFX-UHFFFAOYSA-N
XLogP4.91
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.06
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

3-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]cyclobutane-1-carboxylic acid
CID 157203728
ethyl 4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-2-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrimidine-5-carboxylate
CID 157323583
2-[3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344103
2-[(3R)-3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344098
2-[3-[1-[4-[1-(2,4-dichlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617170
3-[3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-6-methylpyrimidin-2-yl]piperidin-4-yl]piperidin-1-yl]propanoic acid
CID 170287132
2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617230
3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]thieno[2,3-d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]thieno[3,2-d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 158083471
2-[(3R)-3-[1-[6-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-methyl-1,3-benzoxazol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596941
3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazine-2-carbonitrile
CID 139344096
2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]-5,6-dimethylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]cyclobutane-1-carboxylic acid;3-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]thieno[2,3-d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]thieno[3,2-d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 158227478
2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane
CID 159666756

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol (CID 157203727) is 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol is Cc1ccc(C(C)Nc2nc(N3CC(C4CCCN(CCO)C4)C3)nc3ccccc23)c(Cl)c1.
What is the InChIKey of 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is QZQXXHSWGWPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O/c1-18-9-10-22(24(28)14-18)19(2)29-26-23-7-3-4-8-25(23)30-27(31-26)33-16-21(17-33)20-6-5-11-32(15-20)12-13-34/h3-4,7-10,14,19-21,34H,5-6,11-13,15-17H2,1-2H3,(H,29,30,31).
What are the key properties of 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 480.06 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-[1-(2-chloro-4-methylphenyl)ethylamino]quinazolin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 157203727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).