N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

C24H23N5O — CID 71583603

IUPACN-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)c(C)cc3n2)cc1
InChIInChI=1S/C24H23N5O/c1-15-12-23-20(13-22(15)19-8-10-25-11-9-19)14-26-24(29-23)28-21-6-4-18(5-7-21)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1
InChIKeyHHCGZHIZMMSLLF-MRXNPFEDSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (PubChem CID 71583603) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
PubChem CID71583603
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)c(C)cc3n2)cc1
InChIInChI=1S/C24H23N5O/c1-15-12-23-20(13-22(15)19-8-10-25-11-9-19)14-26-24(29-23)28-21-6-4-18(5-7-21)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1
InChIKeyHHCGZHIZMMSLLF-MRXNPFEDSA-N
XLogP4.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]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 N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (CID 71583603) is N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)c(C)cc3n2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The InChIKey is HHCGZHIZMMSLLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-12-23-20(13-22(15)19-8-10-25-11-9-19)14-26-24(29-23)28-21-6-4-18(5-7-21)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is sourced from PubChem (CID 71583603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).