N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide

C21H25N5O — CID 3235308

IUPACN-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-15(27)22-12-13-23-20-18-10-6-7-11-19(18)24-21(25-20)17-9-5-4-8-16(17)14-26(2)3/h4-11H,12-14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyPNCVBVHPMXYCQT-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide

N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3235308) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3235308
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-15(27)22-12-13-23-20-18-10-6-7-11-19(18)24-21(25-20)17-9-5-4-8-16(17)14-26(2)3/h4-11H,12-14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyPNCVBVHPMXYCQT-UHFFFAOYSA-N
XLogP2.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]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-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide (CID 3235308) is N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12.
What is the InChIKey of N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is PNCVBVHPMXYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(27)22-12-13-23-20-18-10-6-7-11-19(18)24-21(25-20)17-9-5-4-8-16(17)14-26(2)3/h4-11H,12-14H2,1-3H3,(H,22,27)(H,23,24,25).
What are the key properties of N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3235308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).