2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide

C24H23N5O — CID 57435011

IUPAC2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
SMILESN#CCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C24H23N5O/c25-11-10-23(30)29(20-7-8-20)14-16-2-1-3-17(12-16)18-4-9-22-21(13-18)24(27-15-26-22)28-19-5-6-19/h1-4,9,12-13,15,19-20H,5-8,10,14H2,(H,26,27,28)
InChIKeyUHKAULSWTXITTL-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.28
Rot. Bonds7

About 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide

2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide (PubChem CID 57435011) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
PubChem CID57435011
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
SMILESN#CCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C24H23N5O/c25-11-10-23(30)29(20-7-8-20)14-16-2-1-3-17(12-16)18-4-9-22-21(13-18)24(27-15-26-22)28-19-5-6-19/h1-4,9,12-13,15,19-20H,5-8,10,14H2,(H,26,27,28)
InChIKeyUHKAULSWTXITTL-UHFFFAOYSA-N
XLogP4.28
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide (CID 57435011) is 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide is N#CCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1.
What is the InChIKey of 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide?
The InChIKey is UHKAULSWTXITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-11-10-23(30)29(20-7-8-20)14-16-2-1-3-17(12-16)18-4-9-22-21(13-18)24(27-15-26-22)28-19-5-6-19/h1-4,9,12-13,15,19-20H,5-8,10,14H2,(H,26,27,28).
What are the key properties of 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide?
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 57435011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).