1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one

C26H27FN6O2 — CID 165120308

IUPAC1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
SMILESC[C@H](CN(C)C)Oc1cc(N2CCCC2=O)cc2ncnc(Nc3ccc4ncccc4c3F)c12
InChIInChI=1S/C26H27FN6O2/c1-16(14-32(2)3)35-22-13-17(33-11-5-7-23(33)34)12-21-24(22)26(30-15-29-21)31-20-9-8-19-18(25(20)27)6-4-10-28-19/h4,6,8-10,12-13,15-16H,5,7,11,14H2,1-3H3,(H,29,30,31)/t16-/m1/s1
InChIKeyLEGXJZHXRJMHHR-MRXNPFEDSA-N
MW474.54 g/mol
LogP4.52
Rot. Bonds7

About 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one

1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one (PubChem CID 165120308) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
PubChem CID165120308
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
SMILESC[C@H](CN(C)C)Oc1cc(N2CCCC2=O)cc2ncnc(Nc3ccc4ncccc4c3F)c12
InChIInChI=1S/C26H27FN6O2/c1-16(14-32(2)3)35-22-13-17(33-11-5-7-23(33)34)12-21-24(22)26(30-15-29-21)31-20-9-8-19-18(25(20)27)6-4-10-28-19/h4,6,8-10,12-13,15-16H,5,7,11,14H2,1-3H3,(H,29,30,31)/t16-/m1/s1
InChIKeyLEGXJZHXRJMHHR-MRXNPFEDSA-N
XLogP4.52
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one 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

2-[(3R)-1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-3-yl]propan-2-ol
CID 165120302
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
CID 165120441
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 165120541
N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120422
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[5-[[[(2R)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)quinazolin-5-yl]oxypropyl]-methylamino]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]quinazolin-4-amine
CID 165120537
7-bromo-5-[(2S,3S)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)quinazolin-4-amine
CID 165120608
5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415
(2S)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 165120670
7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
CID 165120430
5-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120402
5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 166592246

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one (CID 165120308) is 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one is C[C@H](CN(C)C)Oc1cc(N2CCCC2=O)cc2ncnc(Nc3ccc4ncccc4c3F)c12.
What is the InChIKey of 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one?
The InChIKey is LEGXJZHXRJMHHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-16(14-32(2)3)35-22-13-17(33-11-5-7-23(33)34)12-21-24(22)26(30-15-29-21)31-20-9-8-19-18(25(20)27)6-4-10-28-19/h4,6,8-10,12-13,15-16H,5,7,11,14H2,1-3H3,(H,29,30,31)/t16-/m1/s1.
What are the key properties of 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one?
1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one has a molecular weight of 474.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one is sourced from PubChem (CID 165120308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).