N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide

C26H28N6O — CID 134812662

IUPACN-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide
SMILESCC(=O)N(c1ccc(-c2cnn(C)c2)cc1)C1CCC(Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)
InChIKeyFNRJTMUROZAOIB-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.81
Rot. Bonds5

About N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide

N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide (PubChem CID 134812662) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide
PubChem CID134812662
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC NameN-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide
SMILESCC(=O)N(c1ccc(-c2cnn(C)c2)cc1)C1CCC(Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)
InChIKeyFNRJTMUROZAOIB-UHFFFAOYSA-N
XLogP4.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide?
The IUPAC name of N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide (CID 134812662) is N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide is CC(=O)N(c1ccc(-c2cnn(C)c2)cc1)C1CCC(Nc2ncc3ccccc3n2)CC1.
What is the InChIKey of N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide?
The InChIKey is FNRJTMUROZAOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30).
What are the key properties of N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide?
N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpyrazol-4-yl)phenyl]-N-[4-(quinazolin-2-ylamino)cyclohexyl]acetamide is sourced from PubChem (CID 134812662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).