2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol

C22H22ClN5O2 — CID 165414848

IUPAC2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22ClN5O2/c1-27(10-11-29)21-17-12-16(23)8-9-18(17)25-22(26-21)30-14-20-24-19(13-28(20)2)15-6-4-3-5-7-15/h3-9,12-13,29H,10-11,14H2,1-2H3
InChIKeyDPJQNVIXQGWHHA-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.69
Rot. Bonds7

About 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol

2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol (PubChem CID 165414848) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol
PubChem CID165414848
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22ClN5O2/c1-27(10-11-29)21-17-12-16(23)8-9-18(17)25-22(26-21)30-14-20-24-19(13-28(20)2)15-6-4-3-5-7-15/h3-9,12-13,29H,10-11,14H2,1-2H3
InChIKeyDPJQNVIXQGWHHA-UHFFFAOYSA-N
XLogP3.69
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol (CID 165414848) is 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol is CN(CCO)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol?
The InChIKey is DPJQNVIXQGWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-27(10-11-29)21-17-12-16(23)8-9-18(17)25-22(26-21)30-14-20-24-19(13-28(20)2)15-6-4-3-5-7-15/h3-9,12-13,29H,10-11,14H2,1-2H3.
What are the key properties of 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol?
2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol has a molecular weight of 423.90 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 165414848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).