N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C26H32N6O2 — CID 31866245

IUPACN-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C(C)C)c1
InChIInChI=1S/C26H32N6O2/c1-17(2)23(30-25(33)19-8-6-7-18(3)15-19)26(34)32-13-11-31(12-14-32)16-22-28-21-10-5-4-9-20(21)24(27)29-22/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,30,33)(H2,27,28,29)/t23-/m1/s1
InChIKeyFPZPLCAEZGFWHJ-HSZRJFAPSA-N
MW460.58 g/mol
LogP2.62
Rot. Bonds6

About N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 31866245) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID31866245
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C(C)C)c1
InChIInChI=1S/C26H32N6O2/c1-17(2)23(30-25(33)19-8-6-7-18(3)15-19)26(34)32-13-11-31(12-14-32)16-22-28-21-10-5-4-9-20(21)24(27)29-22/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,30,33)(H2,27,28,29)/t23-/m1/s1
InChIKeyFPZPLCAEZGFWHJ-HSZRJFAPSA-N
XLogP2.62
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 42932653
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 2109061
N-[1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78777868
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587
3-methyl-N-[3-methyl-1-oxo-1-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide
CID 55451749
(2S)-3-methyl-2-[[2-[[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-yl]amino]butanamide
CID 58809159
(2S)-2-[[2-[(4-acetylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]-3-methylbutanamide
CID 58808976
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 31866245) is N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C(C)C)c1.
What is the InChIKey of N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is FPZPLCAEZGFWHJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-17(2)23(30-25(33)19-8-6-7-18(3)15-19)26(34)32-13-11-31(12-14-32)16-22-28-21-10-5-4-9-20(21)24(27)29-22/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,30,33)(H2,27,28,29)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 460.58 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 31866245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).