7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one

C22H18Cl2N4O2 — CID 134135450

IUPAC7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCn1c(NCCc2ccc(Oc3ccc(Cl)cn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H18Cl2N4O2/c1-28-21(29)18-8-4-15(23)12-19(18)27-22(28)25-11-10-14-2-6-17(7-3-14)30-20-9-5-16(24)13-26-20/h2-9,12-13H,10-11H2,1H3,(H,25,27)
InChIKeyDZIQIHRAOSKYAB-UHFFFAOYSA-N
MW441.32 g/mol
LogP5.08
Rot. Bonds6

About 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one

7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one (PubChem CID 134135450) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
PubChem CID134135450
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCn1c(NCCc2ccc(Oc3ccc(Cl)cn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H18Cl2N4O2/c1-28-21(29)18-8-4-15(23)12-19(18)27-22(28)25-11-10-14-2-6-17(7-3-14)30-20-9-5-16(24)13-26-20/h2-9,12-13H,10-11H2,1H3,(H,25,27)
InChIKeyDZIQIHRAOSKYAB-UHFFFAOYSA-N
XLogP5.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one
CID 134152254
7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
CID 134135730
2-[[2-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methylamino]-3-methylbenzimidazol-5-yl]amino]-2-methylpropanoic acid
CID 129228507
2-N-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-3-methyl-5-N-(1H-pyrazol-5-yl)benzimidazole-2,5-diamine
CID 129228526
2-[6-amino-2-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methylamino]benzimidazol-1-yl]ethanol
CID 118859085
N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
CID 159804956
2-N-[[4-[(5-chloro-2-pyridinyl)oxymethyl]phenyl]methyl]-3-methylbenzimidazole-2,5-diamine
CID 129223487
N-[[4-[(5-chloro-2-pyridinyl)oxy]-2-fluorophenyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
CID 159423966
ethyl 6-[4-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]phenoxy]pyridine-3-carboxylate
CID 118344926
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 139769291
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one (CID 134135450) is 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one is Cn1c(NCCc2ccc(Oc3ccc(Cl)cn3)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one?
The InChIKey is DZIQIHRAOSKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-28-21(29)18-8-4-15(23)12-19(18)27-22(28)25-11-10-14-2-6-17(7-3-14)30-20-9-5-16(24)13-26-20/h2-9,12-13H,10-11H2,1H3,(H,25,27).
What are the key properties of 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one?
7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one has a molecular weight of 441.32 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134135450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).