2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine

C23H24ClN5O4 — CID 166003480

IUPAC2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine
SMILESCOc1cc(-n2cnc(Nc3cc(OC(C)C)cc4nc(Cl)ncc34)c2)cc(OC)c1OC
InChIInChI=1S/C23H24ClN5O4/c1-13(2)33-15-8-17(16-10-25-23(24)28-18(16)9-15)27-21-11-29(12-26-21)14-6-19(30-3)22(32-5)20(7-14)31-4/h6-13,27H,1-5H3
InChIKeyUNWADGFNGLWMRN-UHFFFAOYSA-N
MW469.93 g/mol
LogP5.03
Rot. Bonds8

About 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine

2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine (PubChem CID 166003480) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine.

Molecular Properties

Compound Name2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine
PubChem CID166003480
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine
SMILESCOc1cc(-n2cnc(Nc3cc(OC(C)C)cc4nc(Cl)ncc34)c2)cc(OC)c1OC
InChIInChI=1S/C23H24ClN5O4/c1-13(2)33-15-8-17(16-10-25-23(24)28-18(16)9-15)27-21-11-29(12-26-21)14-6-19(30-3)22(32-5)20(7-14)31-4/h6-13,27H,1-5H3
InChIKeyUNWADGFNGLWMRN-UHFFFAOYSA-N
XLogP5.03
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine?
The IUPAC name of 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine (CID 166003480) is 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine.
What is the SMILES notation for 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine?
The canonical SMILES for 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine is COc1cc(-n2cnc(Nc3cc(OC(C)C)cc4nc(Cl)ncc34)c2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine?
The InChIKey is UNWADGFNGLWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-13(2)33-15-8-17(16-10-25-23(24)28-18(16)9-15)27-21-11-29(12-26-21)14-6-19(30-3)22(32-5)20(7-14)31-4/h6-13,27H,1-5H3.
What are the key properties of 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine?
2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine has a molecular weight of 469.93 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine is sourced from PubChem (CID 166003480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).