N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide

C27H29N5O2 — CID 153283596

IUPACN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4ccn(CC(=O)N(C)C)c(=O)c4)cc23)c1
InChIInChI=1S/C27H29N5O2/c1-17-7-6-8-20(13-17)18(2)28-27-23-14-21(9-10-24(23)29-19(3)30-27)22-11-12-32(25(33)15-22)16-26(34)31(4)5/h6-15,18H,16H2,1-5H3,(H,28,29,30)/t18-/m1/s1
InChIKeyHLBWSONSKXIOKT-GOSISDBHSA-N
MW455.56 g/mol
LogP4.34
Rot. Bonds6

About N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide

N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 153283596) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID153283596
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4ccn(CC(=O)N(C)C)c(=O)c4)cc23)c1
InChIInChI=1S/C27H29N5O2/c1-17-7-6-8-20(13-17)18(2)28-27-23-14-21(9-10-24(23)29-19(3)30-27)22-11-12-32(25(33)15-22)16-26(34)31(4)5/h6-15,18H,16H2,1-5H3,(H,28,29,30)/t18-/m1/s1
InChIKeyHLBWSONSKXIOKT-GOSISDBHSA-N
XLogP4.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide 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

4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
n-((1r,2s,5r)-5-(Tert-butylamino)-2-((s)-2-oxo-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725180
Bms-681
CID 68764898
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide
CID 52938818
N-[3-(4-Aminoquinazolin-6-Yl)-5-Fluorophenyl]-2-(Pyrrolidin-1-Yl)acetamide
CID 72705490
5-(4-((3-Chlorobenzyl)amino)-2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)quinazolin-6-yl)-1-methylpyridin-2(1H)-one
CID 129182189
(s)-1-((1s,2s,4r)-2-Isopropyl-4-(isopropyl(methyl)amino)cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 16064151
N-((1r,2s,5r)-5-(isopropyl(methyl)amino)-2-((s)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725177

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide (CID 153283596) is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide is Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4ccn(CC(=O)N(C)C)c(=O)c4)cc23)c1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is HLBWSONSKXIOKT-GOSISDBHSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-17-7-6-8-20(13-17)18(2)28-27-23-14-21(9-10-24(23)29-19(3)30-27)22-11-12-32(25(33)15-22)16-26(34)31(4)5/h6-15,18H,16H2,1-5H3,(H,28,29,30)/t18-/m1/s1.
What are the key properties of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide?
N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 153283596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).