N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide

C23H20N4O2S — CID 169231534

IUPACN-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide
SMILESCOc1cc2ncnc(-c3sc(C)nc3-c3ccccc3)c2cc1NC(=O)C1CC1
InChIInChI=1S/C23H20N4O2S/c1-13-26-20(14-6-4-3-5-7-14)22(30-13)21-16-10-18(27-23(28)15-8-9-15)19(29-2)11-17(16)24-12-25-21/h3-7,10-12,15H,8-9H2,1-2H3,(H,27,28)
InChIKeyRRBWEMJJGUWKKA-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.09
Rot. Bonds5

About N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide

N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide (PubChem CID 169231534) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide
PubChem CID169231534
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide
SMILESCOc1cc2ncnc(-c3sc(C)nc3-c3ccccc3)c2cc1NC(=O)C1CC1
InChIInChI=1S/C23H20N4O2S/c1-13-26-20(14-6-4-3-5-7-14)22(30-13)21-16-10-18(27-23(28)15-8-9-15)19(29-2)11-17(16)24-12-25-21/h3-7,10-12,15H,8-9H2,1-2H3,(H,27,28)
InChIKeyRRBWEMJJGUWKKA-UHFFFAOYSA-N
XLogP5.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide (CID 169231534) is N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide is COc1cc2ncnc(-c3sc(C)nc3-c3ccccc3)c2cc1NC(=O)C1CC1.
What is the InChIKey of N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide?
The InChIKey is RRBWEMJJGUWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-13-26-20(14-6-4-3-5-7-14)22(30-13)21-16-10-18(27-23(28)15-8-9-15)19(29-2)11-17(16)24-12-25-21/h3-7,10-12,15H,8-9H2,1-2H3,(H,27,28).
What are the key properties of N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide?
N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169231534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).