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

C30H37N7O — CID 129166228

IUPAC2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCC3c3ccccc3)c2c1
InChIInChI=1S/C30H37N7O/c1-21-28(22(2)38-33-21)24-10-11-26-25(20-24)29(37-13-12-27(37)23-8-6-5-7-9-23)32-30(31-26)36-18-16-35(17-19-36)15-14-34(3)4/h5-11,20,27H,12-19H2,1-4H3
InChIKeyWOSJOEFVINPUOP-UHFFFAOYSA-N
MW511.67 g/mol
LogP4.54
Rot. Bonds7

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

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 129166228) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-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-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID129166228
Molecular FormulaC30H37N7O
Molecular Weight511.67 g/mol
Exact Mass511.31
IUPAC Name2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCC3c3ccccc3)c2c1
InChIInChI=1S/C30H37N7O/c1-21-28(22(2)38-33-21)24-10-11-26-25(20-24)29(37-13-12-27(37)23-8-6-5-7-9-23)32-30(31-26)36-18-16-35(17-19-36)15-14-34(3)4/h5-11,20,27H,12-19H2,1-4H3
InChIKeyWOSJOEFVINPUOP-UHFFFAOYSA-N
XLogP4.54
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(3,5-Dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid
CID 3235557
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine
CID 17757075
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
[4-[(3-Chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 129165693
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129165694
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
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165718
4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
CID 129165729
N-[1-(3-chlorophenyl)ethyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165750
N-[(2-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165757
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165758
1-[(3S)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-4-yl]-3-phenylpiperazin-1-yl]ethanone
CID 129165784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-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-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 129166228) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-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-phenylazetidin-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-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCC3c3ccccc3)c2c1.
What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is WOSJOEFVINPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-21-28(22(2)38-33-21)24-10-11-26-25(20-24)29(37-13-12-27(37)23-8-6-5-7-9-23)32-30(31-26)36-18-16-35(17-19-36)15-14-34(3)4/h5-11,20,27H,12-19H2,1-4H3.
What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 511.67 g/mol, XLogP of 4.54, 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-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 129166228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).