2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

C31H39N7O — CID 129165841

IUPAC2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCCC3c3ccccc3)c2c1
InChIInChI=1S/C31H39N7O/c1-22-29(23(2)39-34-22)25-12-13-27-26(21-25)30(38-14-8-11-28(38)24-9-6-5-7-10-24)33-31(32-27)37-19-17-36(18-20-37)16-15-35(3)4/h5-7,9-10,12-13,21,28H,8,11,14-20H2,1-4H3
InChIKeyDSUMAMVYMDPCMV-UHFFFAOYSA-N
MW525.70 g/mol
LogP4.93
Rot. Bonds7

About 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 129165841) has the molecular formula C31H39N7O and a molecular weight of 525.70 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID129165841
Molecular FormulaC31H39N7O
Molecular Weight525.70 g/mol
Exact Mass525.32
IUPAC Name2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCCC3c3ccccc3)c2c1
InChIInChI=1S/C31H39N7O/c1-22-29(23(2)39-34-22)25-12-13-27-26(21-25)30(38-14-8-11-28(38)24-9-6-5-7-10-24)33-31(32-27)37-19-17-36(18-20-37)16-15-35(3)4/h5-7,9-10,12-13,21,28H,8,11,14-20H2,1-4H3
InChIKeyDSUMAMVYMDPCMV-UHFFFAOYSA-N
XLogP4.93
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.70
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165873
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165926
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]isoquinolin-1-amine
CID 167018053
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165840
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
tert-butyl (3S)-4-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]-3-phenylpiperazine-1-carboxylate
CID 140931630
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
CID 129166244
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3-methyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165698
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
CID 129166146
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)-N-(thiazetidin-3-yl)quinazoline-2-carboxamide
CID 175355937
2-[1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperidin-4-yl]ethanol
CID 129165868
8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 24865641

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 129165841) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCCC3c3ccccc3)c2c1.
What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is DSUMAMVYMDPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O/c1-22-29(23(2)39-34-22)25-12-13-27-26(21-25)30(38-14-8-11-28(38)24-9-6-5-7-10-24)33-31(32-27)37-19-17-36(18-20-37)16-15-35(3)4/h5-7,9-10,12-13,21,28H,8,11,14-20H2,1-4H3.
What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 525.70 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 129165841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).