N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide

C25H28N6O — CID 153271182

IUPACN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4cnn(CC(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C25H28N6O/c1-16-7-6-8-19(11-16)17(2)27-25-22-12-20(9-10-23(22)28-18(3)29-25)21-13-26-31(14-21)15-24(32)30(4)5/h6-14,17H,15H2,1-5H3,(H,27,28,29)/t17-/m1/s1
InChIKeyWXDTUTZSURADMA-QGZVFWFLSA-N
MW428.54 g/mol
LogP4.37
Rot. Bonds6

About N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide (PubChem CID 153271182) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide
PubChem CID153271182
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4cnn(CC(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C25H28N6O/c1-16-7-6-8-19(11-16)17(2)27-25-22-12-20(9-10-23(22)28-18(3)29-25)21-13-26-31(14-21)15-24(32)30(4)5/h6-14,17H,15H2,1-5H3,(H,27,28,29)/t17-/m1/s1
InChIKeyWXDTUTZSURADMA-QGZVFWFLSA-N
XLogP4.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide (CID 153271182) is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide is Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4cnn(CC(=O)N(C)C)c4)cc23)c1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide?
The InChIKey is WXDTUTZSURADMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N6O/c1-16-7-6-8-19(11-16)17(2)27-25-22-12-20(9-10-23(22)28-18(3)29-25)21-13-26-31(14-21)15-24(32)30(4)5/h6-14,17H,15H2,1-5H3,(H,27,28,29)/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 153271182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).